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1 REGISTRY Dictionary. 2 Find Jasmonate-like compounds: Their effect, on paclitaxel and baccatin III production, in cultured cells from Taxus species.

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Presentation on theme: "1 REGISTRY Dictionary. 2 Find Jasmonate-like compounds: Their effect, on paclitaxel and baccatin III production, in cultured cells from Taxus species."— Presentation transcript:

1 1 REGISTRY Dictionary

2 2 Find Jasmonate-like compounds: Their effect, on paclitaxel and baccatin III production, in cultured cells from Taxus species Skills Practice

3 3 - cyclopentane acetic acid esters - one chain double bond - one ketone group on cyclopentane

4 4  Run at least two searches by names Compare the results and explain the differences  Run a comprehensive search by structure Compare these results with the previous ones and explain the difference  In both cases look at the IDS compounds

5 5 => cyclopentaneacet?/hp(l)oxo(l)en? 7336 CYCLOPENTANEACET?/HP OXO 57 OXOS OXO (OXO OR OXOS) EN? L2 781 CYCLOPENTANEACET?/HP(L)OXO(L)EN? => d scan

6 6 IN Cyclopentaneacetic acid, 3-oxo-2-(2E)-2-pentenyl-, methyl ester, IN Cyclopentaneacetic acid,  -(2-methylenehexylidene)-3-oxo-,

7 7 => cyclopentaneacetic acid/hp(l)(2 or 3 or 4 or 5)(10w)(?enyl/cns or en# or ?idene/cns)(l)(2 or 3 or 4 or 5)(w)oxo/cns L1 974 CYCLOPENTANEACETIC ACID/HP

8 8 => (cyclopent?(l)acet?)/ins.nhp(l)(2 or 3 or 4 or 5)(10w)(?enyl/cns or en# or ?idene/cns)(l)(2 or 3 or 4 or 5)(w)oxo/cns L CYCLOPENT?

9 9 => l1 not l2 L3 956 L1 NOT L2 => d cn Cyclopentaneacetic acid CN Cyclopentaneacetic acid, 2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl ester (9CI) (CA INDEX NAME) => l2 not l1 L L2 NOT L1 => d cn cyclopentylacetyl CN 1H-Imidazole-4-propanamide,  -[(cyclopentylacetyl)amino]-N- [(1R)-1-[(4-methoxyphenyl)methyl]-2-oxo-2-[4-(1-oxobutyl)-4-phenyl- 1-piperidinyl]ethyl]-, (  S)- (9CI) (CA INDEX NAME) => l1 and l2 L5 18 L1 AND L2 => d cn Cyclopentaneacetic acid CN Cyclopentaneacetic acid, 3-oxo-2-(2Z)-2-pentenyl-, (1R,2R)-, compd. with morpholine (1:1) (9CI) (CA INDEX NAME) OTHER CA INDEX NAMES: enylcyclopentaneacet CN Morpholine, (1R,2R)-3-oxo-2-(2Z)-2-pentenylcyclopentaneacetate(9CI) L L1 OR L2

10 10 => l6 and ids/ci L7 6 L6 AND IDS/CI => d scan IN Cyclopentaneacetic acid, 1-carboxy-5-(p-methoxyphenyl)- 3-methyl-2-oxo-, methyl ester (7CI) MF C17 H20 O6 CI IDS CM 1 CM 2

11 11 IN Cyclopentaneacetic acid, 1-carboxy-5-(p-methoxyphenyl)- 3-methyl-2-oxo-, benzyl methyl ester (7CI) MF C24 H26 O6 CI IDS CM 1 CM 2CM 3

12 12 IN Cyclopentaneacetic acid, 2(or 3)-ethylidene-4-oxo-, methyl ester (9CI) MF C10 H14 O3 CI IDS

13 13 IN Cyclopentaneacetic acid, 4-oxo-  -(1-oxoheptyl)-2-(2- oxopropyl)-, ethyl ester, bis[(2,4-dinitrophenyl) hydrazone] (9CI) MF C31 H38 N8 O11 CI IDS CM 1 CM 2

14 14 IN Cyclopentaneacetic acid, 3-oxo-2-(2-pentenyl)-, methyl ester,didehydro deriv., [1R-[1 ,2  (Z)]]- (9CI) MF C13 H18 O3 CI IDS

15 15 IN Cyclopentaneacetic acid, 3-oxo-2-(pentenyl)-, methyl ester (9CI) MF C13 H20 O3 CI IDS

16 16 L8 STRUCTURE UPLOADED

17 17 => L8 STRUCTURE UPLOADED => l8 full L SEA SSS FUL L8 => l10 not l6 L L10 NOT L6 => d scan

18 18 IN Bicyclo[2.2.1]heptane-2-acetic acid,  -[2-[[(1,1- dimethylethyl)diphenylsilyl]oxy]ethyl]-2-hydroxy-7-[1-[[(4- methoxyphenoxy)methoxy]methyl]ethenyl]-3-oxo-7-[(triethylsilyl)oxy]-, methyl ester, (1R,4R,7R)-rel- (9CI)

19 19 IN Propanedioic acid, [2-(1-butenyl)-3-oxocyclopentyl]-, dimethyl ester, (Z)-(9CI)

20 20 => l6 not l10 L L6 NOT L10 => d scan IN Cyclopentaneacetic acid, 2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-  -(4-methyl-2-oxo-3-pentenyl)-, ethyl ester, (  R,1R,2S)-rel- (9CI)

21 21 IN L-Threonine, N-[[(1S,2S)-3-oxo-2-[(2Z)-2-pentenyl] cyclopentyl]acetyl]-, methyl ester (9CI)

22 22 => l10 or l6 L L10 OR L6 => paclitaxel/cn or baccatin III/cn 1 PACLITAXEL/CN 1 BACCATIN III/CN L15 2 PACLITAXEL/CN OR BACCATIN III/CN

23 23 => fil hcaplus => e taxus/ct E# FREQUENCY AT TERM E1 0 2 TAXOTERE/CT E2 0 1 TAXREB67/CT E > TAXUS/CT => e e3+all E > Taxus/CT E NT1 Yew (Taxus yunnanensis)/CT ********** END **********

24 24 => e L => l14 and l15/prep and l18 L19 50 L16 AND L17/PREP AND L18 => d hitstr

25 25 IT , Methyl jasmonate

26 26 IT P, Paclitaxel RL: PREP (Preparation)

27 27 Molecular Formula Search

28 28 Molecular Formula Indexes z Molecular Formula (/MF) l Complete molecular formula z Basic Index (/BI or none) l Molecular formula for one component Molecular Formula Search

29 29 Molecular Formula Search Molecular Formula (/MF) Consider the generic formula: A.B.C (nc=3; n° dots +1) The search in the MF field is: => S A.B.C/MF (The field MF is indexed as a frase)

30 30 Molecular Formula Search Basic Index (/BI or none) Consider the generic formula: A.B.C (nc=3; n° dots +1) The search in the BI field is: => S A(L)B(L)C and nc=3 (The field BI is indexed as words) WA The Operators W or A are not working

31 31 Salts of Acids To determine the /MF for salts of acids, do the following:  Remove the metal from the acid. Replace it with hydrogen.  Determine the formula for the neutral fragment.  Separate the acid formula from the metal formula with a period. The carbon-containing acid comes first. Molecular Formula Search

32 32 Salts of Acids REGISTRY representation Sodium acetate MF C2H4O2.Na Molecular Formula Search

33 33 Molecular Formula Search => fil reg => C2H4O2.Na/mf L1 32 C2H4O2.NA/MF => l1 and acet? ACET? L2 32 L1 AND ACET?

34 34 Molecular Formula Search => d scan L2 32 ANSWERS REGISTRY COPYRIGHT 2003 ACS IN Acetic-t3 acid, sodium salt (9CI) MF C2 H O2 T3. Na

35 35 Molecular Formula Search => d 32 L2 ANSWER 32 OF 32 REGISTRY COPYRIGHT 2003 ACS RN REGISTRY CN Acetic acid, sodium salt (7CI, 8CI, 9CI)

36 36 Salts of Amines To determine the /MF for amine salts quaternized with at least one hydrogen atom, do the following:  Remove the hydrogen from the amine. Add it to the anion.  Determine the formulas for the neutral fragments.  Separate the formulas with a period. The carbon- containing formula comes first. Molecular Formula Search

37 37 Salts of Amines MF C3H9N.CLH Trimethylammonium chloride REGISTRY representation Molecular Formula Search

38 38 Salts of Amines To determine the /MF for amine salts quaternized without any hydrogen atom, do the following:  Determine the formula for each charged fragment.  Separate the formulas with a period. The carbon- containing formula comes first. Molecular Formula Search

39 39 Salts of Amines MF C4H12N.Cl Molecular Formula Search Tetramethylammonium chloride

40 40 Molecular Formula Search Salts of Amines Find the RN of the salt formed between: CN Benzamide, 4-amino-N-[2-(diethylamino)ethyl]- (9CI) And

41 41 Molecular Formula Search Salts of Amines => fil reg => c14h24n3o.i/mf L1 5 C14H24N3O.I/MF => l1 and diethyl?/cns L2 2 L1 AND DIETHYL?/CNS => d scan => l1 and diethyl?/cns and ethanaminium L3 1 L1 AND DIETHYL?/CNS AND ETHANAMINIUM

42 42 Molecular Formula Search Salts of Amines CN Ethanaminium, 2-[(4-aminobenzoyl)amino]-N,N-diethyl- N-methyl-, iodide MF C14 H24 N3 O. I Salts of Amines CN Ethanaminium, 2-[(4-aminobenzoyl)amino]-N,N-diethyl- N-methyl-, iodide MF C14 H24 N3 O. I

43 43 Molecular Formula Search Salts of Amines Find the RN of the salt formed between: CN 3(2H)-Pyridazinone, 6-methyl-2-(3-piperidinopropyl)- And

44 44. Molecular Formula Search Salts of Amines IN 3(2H)-Pyridazinone, 6-methyl-2-(3-piperidinopropyl)-, methiodide MF C13H21N3O.CH3I

45 45 Molecular Formula Search Salts of Amines => fil reg => C13H21N3O.CH3I/mf L1 2 C13H21N3O.CH3I/MF => d scan => l1 and Pyridazinone L2 1 L1 AND PYRIDAZINONE

46 46 Molecular Formula Search Salts of Amines L2 ANSWER 1 OF 1 REGISTRY COPYRIGHT 2005 ACS on STN RN REGISTRY ED Entered STN: 13 Jul 1985 CN 3(2H)-Pyridazinone, 6-methyl-2-(3-piperidinopropyl)-, methiodide (7CI) (CA INDEX NAME) MF C13 H21 N3 O. C H3 I

47 47 Molecular Formula Search Salts of Amines (Special case) RN REGISTRY CN 1H-Purinium, MF C16 H16 Br N4 O3. C7 H7 O3 S CM 1 CRN CMF C16 H16 Br N4 O3 CM 2 CRN CMF C7 H7 O3 S ONE OR MORE TAUTOMERIC DOUBLE BONDS NOT DISPLAYED IN THE STRUCTURE, THEN A + SIGN IS MISSING. THESE ARE CHARGED FORMS

48 48 Molecular Formula Search Salts of Amine BUT Paratoluensulfonic acid IS a protic acid !!!! RN REGISTRY CN Benzenesulfonic acid, 4-methyl- (9CI) (CA INDEX NAME) OTHER CA INDEX NAMES: CN p-Toluenesulfonic acid (7CI, 8CI) MF C7 H8 O3 S

49 49 Molecular Formula Search Salts of Amine Looking at the pubblication you find the explanation L2 ANSWER 1 OF 2 CAPLUS COPYRIGHT 2005 ACS on STN AN 1988: CAPLUS GI COC6H4Br-4 AB The stereo- and regiochem. aspects of the reactions of xanthinium methylides (e.g., I; R = cyano, CO2Me, Bz, COC6H4Br-4)

50 50 Molecular Formula Search Salts of Amine L2 ANSWER 2 OF 2 CAPLUS COPYRIGHT 2005 ACS on STN AN 1985:45843 CAPLUS GI

51 51 Molecular Formula Search Salts of Amine Formally, non protic salification

52 52 Molecular Formula Search Salts of Amine How can you find this kind of salts? => ncnc2-ncnc3/es(p)c6/ea and c h br n o/elf(p)16/c(p)1/br(p)4/n(p)3/o and nc=2 L15 2 NCNC2-NCNC3/ES(P)C6/EA AND

53 53 Molecular Formula Search Complexes => fil reg => C2 H6 Co O5/MF L1 1 C2 H6 CO O5/MF => d L1 ANSWER 1 OF 1 REGISTRY COPYRIGHT 2003 ACS RN REGISTRY CN Cobalt, [glyoxylato(2-)]diaquo- (7CI) (CA INDEX NAME) MF C2 H6 Co O5

54 54 Find the RN of the salt formed between the following two components: Molecular Formula Search Complexes

55 55 => fil reg => C5 H18 Cl Co N4 O2. 2 Cl O4/mf L1 1 C5 H18 CL CO N4 O2. 2 CL O4/MF => d L1 ANSWER 1 OF 1 REGISTRY COPYRIGHT 2003 ACS RN REGISTRY CN Cobalt(2+), tetraammine(3-chloro-2,4-pentanedionato-O,O')-, (OC-6- 22)-,diperchlorate (9CI) (CA INDEX NAME) OTHER CA INDEX NAMES: CN 2,4-Pentanedione, 3-chloro-, cobalt complex MF C5 H18 Cl Co N4 O2. 2 Cl O4 LC STN Files: CA, CAPLUS Molecular Formula Search Complexes

56 56 Polymers z Most polymers are registered by CAS in terms of their component monomers. z CAS definition - a natural or synthetic macromolecule formed by linking together smaller molecules (monomers). Molecular Formula Search

57 57 Polymers-monomers based z /MF for monomers based indexing l all the monomer component formulas enclosed in parentheses parentheses l and separated by periods if more than one component monomer is present monomer is present l followed by “X” l ratios between monomers are ignored l component with the highest number of carbons comes first first l other components arranged in descending order Molecular Formula Search

58 58 Polymers-monomers based Polystyrene – homopolymer MF (C8H8)X MF (C8H8)X Molecular Formula Search

59 59 Vinyl acetate-vinyl chloride-vinyl fluoride copolymers MF (C4H6O2.C2H3Cl.C2H3F)X Molecular Formula Search Polymers-monomers based

60 60 Polymers-SRU based z /MF for SRU based indexing l the SRU formula enclosed in parentheses l arranged in descending order l followed by “N” l starting or ending groups, outside of the parentheses in ascending order ascending order Molecular Formula Search

61 61 Polymers-SRU based Molecular Formula Search MF (C3 H4 O2)n

62 62 Polymers-SRU based Molecular Formula Search MF (C3 H4 O2)n C12 H30 N2

63 63 Molecular Formula (/MF) Basic Index (/BI or none) (C5H8O2)x C5H8O2 (C7H10Cl2O4.C4H10N2)x C7H10Cl2O4 C4H10N2 (C12H2O4)n C12H2O4 (C2H4O)nC28H40 C2H4O (C2H4O)nC28H40 (C8H6O.(C2H4O)nH2O4)x C8H6O C2H4O (C2H4O)nH2O4 (C10H8O4)n.xNa C10H8O4 Na (C10H8O4)n ((C18H34O2)2.C14H32N2)x C18H34O2 C14H32N2 (C18H34O2)2 (C5H8O2.C3H3N)x.CH2I2 C5H8O2 C3H3N CH2I2 (C5H8O2.C3H3N)x MF Indexing for Polymers in Basic Index

64 64 Isotopes z Deuterium & Tritium double indexed l One formula with H l One formula with D &/or T Molecular Formula Search

65 65 Skills Practice Run the searches, using molecular formulas, in /MF and /BI fields, for: Sodium acetate Sodium acetate Trimethylammonium chloride Trimethylammonium chloride Tetramethylammonium chloride Tetramethylammonium chloride

66 66 => C2H4O2.Na/MF => C2H4O2(l)Na and nc=2 => C3H9N.CLH/MF => C3H9N(l)CLH and nc=2 => C4H12N.Cl/MF => C4H12N(l)Cl and nc=2

67 67 Skills Practice Find the RN for the salt between:

68 68 => fil reg => c14h24n3o.i/mf L1 4 C14H24N3O.I/MF => d 1-4 in mf str

69 69

70 70 => c13h21n3o.ch3i/mf L2 2 C13H21N3O.CH3I/MF => d scan L2 2 ANSWERS REGISTRY COPYRIGHT 2003 ACS IN Furo[2,3-d]pyrimidine-6-methanamine, N,N-diethyl-5,6- dihydro-2,4-dimethyl-, compd. with iodomethane (1:1) (9CI) MF C13 H21 N3 O. C H3 I CM 1 CM 2

71 71 Skills Practice Find the Rn for the following complex:

72 72 => C9 H18 Cl2 Co O11/mf L2 1 C9 H18 CL2 CO O11/MF => d L2 ANSWER 1 OF 1 REGISTRY COPYRIGHT 2003 ACS RN REGISTRY CN Cobalt, (perchlorato-O)(perchlorato-O,O')tris(2-propanone)- (9CI) (CA INDEX NAME) OTHER CA INDEX NAMES: CN 2-Propanone, cobalt complex CN Perchloric acid, cobalt complex MF C9 H18 Cl2 Co O11

73 73 Skills Practice Isolate the Cobalt element, or ions, among compounds with MF=CO

74 74 => co/mf L1 120 CO/MF => c o/mf L2 31 C O/MF => l1 not l2 L3 89 L1 NOT L2 => l1 and cobalt COBALT L4 89 L1 AND COBALT

75 75 Formula Search Fields

76 76 Formula Search Fields

77 77 General text fields can be combined with structure search answer sets as well as text-based answer sets p. 16 General Text Fields

78 78 Operators z (L) Links the entire molecular formula (across components) z (P) In a single component Formula Search Fields

79 79 z Element Formula (/ELF) l Specific elements (with spaces between them) l => S C H CL F/ELF l No element counts l Operator (L) with ELF (P) with other MF Fields Formula Search Fields

80 80 Formula Search Fields

81 81 => c h br/elf L C H BR/ELF => d hit L1 ANSWER 1 OF REGISTRY C10 H20 Br2 MF (C10 H20 Br2. C10 H17 N3 O4 S2. (C2 H4 O)n C4 H8 Br2 O)x Formula Search Fields

82 82 => c h o. c h n/elf L2 468 C H O. C H N/ELF C16 H6 O7C14 H16 N2 MF (C16 H6 O7. C14 H16 N2)x.x C6 H10 O3 => c h o/elf(l)c h n/elf L C H O/ELF(L)C H N/ELF C6 H15 NC4 H8 O MF C7 H6 N2 O4. C6 H15 N. C4 H8 O Formula Search Fields

83 83 => c h/elf and nc=1 L C H/ELF AND NC=1 => d hit L3 ANSWER 1 OF C25 H32 MF C25 H32 => c h/elf(l)nc=1 L C H/ELF(L)NC=1 => l3 not l4 L5 7 L3 NOT L4 Formula Search Fields

84 84 => d hit L5 ANSWER 1 OF 7 REGISTRY C14 H28 MF C14 H28. 1/2 C12 H10 O7 S2 C40 H66 O7 S2 AF C40 H66 O7 S2 Formula Search Fields C H/ELF NC = 1

85 85 => c h n o/elf(p)atc<=10 L C H N O/ELF(P)ATC<=10 => d hit L8 ANSWER 1 OF REGISTRY C H4 N2 O MF C9 H12 O6. 3 C H4 N2 O Formula Search Fields

86 86 => c h/elf(l)nc=1 not rsd/fa not pms/ci Isolate single-component compounds, not polymeric, containing only C and H in chains Formula Search Fields

87 87 z Element Symbol (ELS) l Presence of elements l M,X work l NO: C H O N/ELS l Operarors (L), (P), (A), polymers also (XA) Formula Search Fields

88 88 => (S(L)Se(L)X)/ELS L (S(L)SE(L)X)/ELS SeFS MF C 42 H 42 O 2 SeTe 2. 2CF 3 O 3 S => (S(P)Se(P)X)/ELS L (S(P)SE(P)X)/ELS ClSSe MF C 9 H 17 ClOS Se Formula Search Fields /ELS (L) versus (P)

89 89 l => Nb/els(l)4-7/atc not af/fa L L7 NOT AF/FA NbB F4 MF C36 H43 N Nb O4. B F4 p => Nb/els(p)4-7/atc not af/fa L L9 NOT AF/FA F6 Nb MF C7 H18 N. F6 Nb Formula Search Fields /ELS (L) versus (P)

90 90 => (Se(p)Cl(p)C)/els(p)5/elc L (SE(P)CL(P)C)/ELS(P)5/ELC C4 Cl2 N4 S4 Se2 MF C4 Cl2 N4 S4 Se2. 2 H4 N Formula Search Fields /ELS (L) versus (P)

91 91 => (B(L)H(L)M)/ELS NOT C/ELS L (B(L)H(L)M)/ELS NOT C/ELS BHLi MF B12 H12. He. 2 Li => (B(P)H(P)M)/ELS (NOTP) C/ELS L (B(P)H(P)M)/ELS(NOTP)C/ELS CBHY MF C24 H20 P. B4 H16 Y Formula Search Fields /ELS (L) NOT, (P) (NOTP)

92 92 Formula Search Fields /ELS (P) versus (A) => (S(P)Se(P)X)/ELS L (S(P)SE(P)X)/ELS ClSSe MF C9H17ClOS Se => (S(a)Se(a)X)/ELS L (S(A)SE(A)X)/ELS SSeBr MF C17 H17 Br N2 O S2 Se. Br H => (S(w)Se(w)X)/ELS L (S(W)SE(W)X)/ELS

93 93 => pms/ci and n/els L PMS/CI AND N/ELS => l1 and (n(l)n)/els L L1 AND (N(L)N)/ELS N MF C20 H38 N2 O6. C H4 O3 S Formula Search Fields Special case: Polymers

94 94 Formula Search Fields => L1 and (N(XA)N)/ELS L L1 and (N(XA)N)/ELS NN MF (C29 H18 F6 N2 O5)n C60 H38 F12 N4 O13 Special case: Polymers

95 95 Formula Search Fields Using /ELF Field, isolate, in Registry, the lowest set containing the following compound.

96 96 Formula Search Fields RN REGISTRY

97 97 Formula Search Fields

98 98 Formula Search Fields => L ( /RN) => "(c h o)n (c h o)n (c h o)n (c h o)n c h n o"/elf L "(C H O)N (C H O)N (C H O)N (C H O)N C H N O"/ELF => l1 and l2 L3 1 L1 AND L2

99 99 z Element Symbol, Multicomponent Formula (ELS.MCF) l Presence of elements in the entire formula l M,X work l NO: C H O N/ELS.MCF l Operarors (L)=(P), (XA), (A), (XW), (W) Formula Search Fields

100 100 (B(L)NI)/ELS (B(L)NI)/ELS.MCF (B(XA)NI)/ELS.MCF (B(A)NI)/ELS.MCF (B(XW)NI)/ELS.MCF (B(W)NI)/ELS.MCF (B(XA)B)/ELS.MCF (B(A)B)/ELS.MCF Formula Search Fields Operator analysis

101 101 => (B(L)NI)/ELS.MCF L (B(L)NI)/ELS.MCF BNi MF C. B. Co. Fe. Ni. Si => (B(L)NI)/ELS L (B(L)NI)/ELS => l2 not l1 L L2 NOT L1 MF (B Ni2)2 => l3 and nc>1 L4 0 L3 AND NC>1 /ELS gets also monocomponent compounds with B and Ni Formula Search Fields /ELS.MCF versus /ELS

102 102 Formula Search Fields /ELS.MCF (L) versus (XA) => (B(L)NI)/ELS.MCF L (B(L)NI)/ELS.MCF BNi MF C36 H44 B2 N12 Ni O12. C2 H3 N => (B(XA)NI)/ELS.MCF L (B(XA)NI)/ELS.MCF B MF C. B. Cr. Fe. Ni. Si The (L) operator gets also B and Ni inside the same component in multicomponent compounds. multicomponent compounds.

103 103 Formula Search Fields /ELS.MCF (XA) versus (XW) => (B(XA)NI)/ELS.MCF L (B(XA)NI)/ELS.MCF NiB MF C36 H34 N12 Ni2. 2 C2 H3 N. 4 B F4 => (B(XW)NI)/ELS.MCF L (B(XW)NI)/ELS.MCF BNi MF C. B. Cr. Fe. Ni. Si

104 104 Formula Search Fields /ELS.MCF (XA) versus (A) => (B(XA)NI)/ELS.MCF L (B(XA)NI)/ELS.MCF NiB MF C36 H34 N12 Ni2. 2 C2 H3 N. 4 B F4 => (B(A)NI)/ELS.MCF L (B(A)NI)/ELS.MCF Ni MF C42 H42 N12 Ni2. 4 B F4

105 105 Formula Search Fields /ELS.MCF (XW) versus (W) => (B(XW)NI)/ELS.MCF L (B(XW)NI)/ELS.MCF BNi MF C. B. Cr. Fe. Ni. Si => (B(W)NI)/ELS.MCF L (B(W)NI)/ELS.MCF BNi MF B. Ni. Sb

106 106 Formula Search Fields /ELS.MCF (XA) versus (A), with the same Element => (B(XA)B)/els.mcf L (B(XA)B)/ELS.MCF BB MF C34 H33 B Ir N6 P2. 1/2 C H2 Cl2. B F4 => (B(A)B)/els.mcf L (B(A)B)/ELS.MCF BB MF C32 H54 B Cr N8 O.C32 H12 B F24.1/2 C H2 Cl2

107 107 z Element counts l => S 1- 4/C (L) 3/N l Operators (W) (A) (P) (L) l 0/C, 0/H, 0/N Formula Search Fields

108 108 => 1/sb and 3/x L /SB AND 3/X => d kwic L3 ANSWER 1 OF 11 REGISTRY Sb MF Br. Hg. Sb. Tl Br3 AF Br3 Hg3 Sb2 Tl Formula Search Fields Element counts

109 109 => 1/sb(l)3/x L /SB(L)3/X L4 ANSWER MF I. La. Sb I3Sb AF I3 La3 Sb L5 ANSWER 1 OF Br3Sb MF C18 H12 Br3 N. Cl5 Sb Formula Search Fields Element counts

110 110 => 1/sb(p)3/x L /SB(P)3/X => d mf L6 ANSWER 1 OF 1733 REGISTRY Cl3Sb MF C29 H33 Cl3 N O Sb Element counts Formula Search Fields

111 111 => 14/c(p)4/o(p)n>=2 L /C(P)4/O(P)N>=2 => d mf L1 ANSWER 1 OF C14N2O4 MF C14 H14 N2 O4 Formula Search Fields Element counts

112 112 => 14/c(xa)4/o(xa)n>=2 L /C(xa)4/O(xa)N>=2 => d mf L1 ANSWER 1 OF C14N2O4 MF C14 H14 N2 O4 Formula Search Fields Element counts

113 113 Formula Search Fields Element counts => 14/c(2a)4/o(2a)n>=2 L /C(2A)4/O(2A)N>=2 C14O4 MF (C21 H14 N2 O4. C14 H16 N2 O4. C13 H14 N2)x => 14/c(2a)n>=2(2a)4/o L /C(2A)N>=2(2A)4/O C14N4 MF C14 H23 F N4 O4 S. C4 H4 O4

114 114 Formula Search Fields Element counts => 14/c(1a)4/o(a)n>=2 L /C(1A)4/O(A)N>=2 C14O4 MF C14 N4 O4 => 14/c(a)4/o(a)n>=2 L2 0 14/C(A)4/O(A)N>=2

115 115 Formula Search Fields Element counts => 14/c(1a)n>=2(1a)4/o L /C(1A)N>=2(1A)4/O C14N2O4 MF C14 H26 N2 O4 C14N2O4 MF C16 H36 N. 1/2 C14 H10 N2 Ni O4 S6 => 14/c(1a)n>=2(a)4/o L /C(1A)N>=2(A)4/O C14N4O4 MF C14 H12 N4 O4 S

116 116 Formula Search Fields Element counts => 14/c(1a)4/o(1a)n>=2 L5 8 14/C(1A)4/O(1A)N>=2 C5C5C4O2 MF (C5 H9 N O)n (C5 H9 N O)n C4 H8 O2 => 14/c(w)n>=2(w)4/o L8 3 14/C(W)N>=2(W)4/O MF C14 N6 O4. 2 K

117 117 => 1/se(p)5/atc L /SE(P)5/ATC => d mf L2 ANSWER 1 OF 986 REGISTRY O4 Se MF Al. Li. Mn. O4 Se. O Element counts Formula Search Fields

118 118 => c h n o/elf(p)6/o(p)2/n L C H N O/ELF(P)6/O(P)2/N => d mf L3 ANSWER 1 OF REGISTRY N2O6 MF C23 H40 N2 O6 Formula Search Fields Element counts

119 119 => 2/n(p)2-6/x(notp)h/els L /N(P)2-6/X(NOTP)H/ELS => d mf L4 ANSWER 1 OF 4099 REGISTRY O4Pd MF C24 H20 P.1/2 Cl4 N2 O4 Pd2 Element counts Formula Search Fields

120 120 => (methane CH4) L ( /RN) => l5 and 1/c L6 1 L5 AND 1/C Formula Search Fields Element counts

121 121 0/n => l5 and 1/c and 0/n 0/N L7 0 L5 AND 1/C AND 0/N => l5 and 1/c(notp)n/els L8 1 L5 AND 1/C(NOTP)N/ELS Element counts Formula Search Fields

122 122 z Periodic Group (/PG) l Elements in a periodic group l => S (A1(L)LANTH)/PG Formula Search Fields

123 123 Periodic Group Search Indexes p. 17 Formula Search Fields

124 124 E A1/PG E A2/PG E A3/PG E A4/PG E A5/PG E A6/PG E A7/PG E A8/PG E ACTN/PG E B1/PG E B2/PG E B3/PG Formula Search Fields Periodic Group (/PG)

125 125 E B4/PG E B5/PG E B6/PG E B7/PG E B8/PG E LNTH/PG E SHEL/PG* E T1/PG** E T2/PG** E T3/PG** * Atomic Number over 104 ** T1= Sc-Cu;T2=Y-Ag;T3=La-Au Formula Search Fields Periodic Group (/PG)

126 126 => (b6(l)a5(l)a7)/pg L (B6(L)A5(L)A7)/PG ClMoNP MF C35 H47 Cl4 Fe3 Mo N O8 P2 S3 CrNClFP MF C68 H72 Cr2 N12.4 C H2 Cl2.F6 P Formula Search Fields Periodic Group (/PG)

127 127 => (b6(p)a5(p)a7)/pg L (B6(P)A5(P)A7)/PG => d mf L9 ANSWER 1 OF ClMoNP MF C35 H47 Cl4 Fe3 Mo N O8 P2 S3 Periodic Group (/PG) Formula Search Fields

128 128 => (pd(p)n)/els(p)(a6(p)a7)/pg L (PD(P)N)/ELS(P)(A6(P)A7)/PG => d hit L4 ANSWER 1 OF ClNOPd MF C66 H52 Cl2 Fe N2 O8 P2 Pd2 Formula Search Fields Periodic Group (/PG)

129 129 Isolate the A1 salicylic salts Formula Search Fields Periodic Group (/PG)

130 130 => salicylic acid/cn L1 1 SALICYLIC ACID/CN => sel rn L2 SEL L1 1- RN : 1 TERM => l2/crn and a1/pg and nc=2 L4 14 L3 AND A1/PG AND NC=2 Isolate the A1 salicilic salts Formula Search Fields Periodic Group (/PG)

131 131 z Component Element Count (/ELC) l Number of unique elements in a component l => S (C (P) X)/ELS (P) 2/ELC Formula Search Fields

132 132 => 2/elc(l)3/elc L /ELC(L)3/ELC => l1 and nc=2 L L1 AND NC=2 C42 H87 Mn. Cl Mg MF C42 H87 Mn. Cl Mg Formula Search Fields Component Element Count (/ELC)

133 133 Formula Search Fields Component Element Count (/ELC) => l1 and nc=1 L L1 AND NC=1 MF C13 H15 D3 => l3 and d/els L L3 AND D/ELS Deuterium is indexed twice: as D, and as H

134 134 => rb/els(l)5/elc L RB/ELS(L)5/ELC CHNOSRb MF C6 H5 N O4 S2. H2 O. Rb Formula Search Fields Component Element Count (/ELC)

135 135 => rb/els(p)5/elc L RB/ELS(P)5/ELC CHOPRb MF C19 H32 O P Rb Component Element Count (/ELC) Formula Search Fields

136 136 z Substance Element Count (/ELC.SUB) l Number of unique elements in the substance l => S (X (L) N)/ELS (L) 5/ELC.SUB Formula Search Fields

137 137 => 2/elc.sub L /ELC.SUB MF Si. U SiU AF Si3 U CH MF C15 H16 CAlAl MF C3 Al4. Al Formula Search Fields Substance Element Count (/ELC.SUB)

138 138 => 2/elc.sub(l)3/elc L /ELC.SUB(L)3/ELC MF C12 H23 D => l3(l)nc=1 L L3(L)NC=1 C6 H7 D MF C6 H7 D D is indexed twice: as D, and as H Formula Search Fields Substance Element Count (/ELC.SUB)

139 139 => l3 not l4 L5 102 L3 NOT L4 D2 O2. D H O MF D2 O2. D H O Substance Element Count (/ELC.SUB) Formula Search Fields

140 140 CH In File CAPlus isolate all the patents concerning polyolefins with only C and H in MF Formula Search Fields

141 141 => fil reg => e polyolefins/pct E POLYNUCLEOTIDE/PCT E POLYOLEFIN/PCT E3 0 --> POLYOLEFINS/PCT E POLYOTHER/PCT => e2 and c h/elf and 2/elc.sub L POLYOLEFIN/PCT AND C H/ELF AND 2/ELC.SUB Formula Search Fields

142 142 => fil caplus => l1 and p/dt L L1 AND P/DT => d hitstr Formula Search Fields

143 143 L2 ANSWER 1 OF CAPLUS COPYRIGHT 2005 ACS on STN IT CN 1,3-Butadiene, homopolymer IT CN 1,3-Butadiene, 2-methyl-, homopolymer IT CN Benzene, ethenyl-, polymer with 1,3-butadiene Formula Search Fields

144 144 z Formula Weight (/FW) l Numeric l => S (C H N O)/ELF (P) FW S (C H N O)/ELF (P) FW<=150 Formula Search Fields

145 145 Formula Search Fields Formula Weight (/FW)

146 146 z Atom Count (/ATC) l Total number of atoms in a component l => S (C H/ELF) (P) ( )/ATC Formula Search Fields

147 147 Skills Practice From your library you have isolated a compound with antiinflammatory property. You know: MW = BP = °C at 760 Torr There are in the structure the following fragments: Find any known structure with that property R/C

148 148 => fil reg => Uploading C:\Program Files\stnexp\Queries\w11c.str L1 STRUCTURE UPLOADED => d

149 149 => /fw and c/bp and 760 torr/bp.p L /FW AND C/BP AND 760 TORR/BP.P => l1 full subset=l2 FULL SUBSET SEARCH INITIATED 10:33:21 FULL SUBSET SCREEN SEARCH COMPLETED - 61 TO ITERATE 100.0% PROCESSED 61 ITERATIONS 1 ANSWERS SEARCH TIME: L3 1 SEA SUB=L2 SSS FUL L1

150 150 => d L3 ANSWER 1 OF 1 REGISTRY COPYRIGHT 2003 ACS RN REGISTRY CN Benzeneacetamide, 4-bromo-N-methyl-N-[2-[4-(methylsulfonyl)phenyl]-2-oxoethyl]- (9CI)

151 151 => fil caplus => l3 and antiinflammatory L4 2 L3 AND ANTIINFLAMMATORY => d 1-2

152 152 L4 ANSWER 1 OF 2 CAPLUS COPYRIGHT 2003 ACS AN 2003:49505 CAPLUS Full-textFull-text TI Preparation of sulfonylpyrrolidones as antiinflammatory agents IN Guo, Zongru; Cheng, Guifang; Chu, Fengming; Yang, Guangzhong; Xu, Boling PA Inst. of Pharmacology, Chinese Academy of Medicine, Peop. Rep. China SO Faming Zhuanli Shenqing Gongkai Shuomingshu, 40 pp. CODEN: CNXXEV DT Patent LA Chinese FAN.CNT 1 PATENT NO. KIND DATE APPLICATION NO. DATE PI CN A CN PRAI CN

153 153 Find all possible salts of 1H-Pyrazoles with Alkyl Iodides Skills Practice

154 154 => 1h-pyrazolium/hp and nc=2 and c h n/elf(p)2/n(l)(i or c h i)/elf L1 97 1H-PYRAZOLIUM/HP AND NC=2 AND C H N/ELF (P)2/N(L)(I OR C H I)/ELF => d scan

155 155 IN 1H-Pyrazolium, 4,5-dihydro-1,2-dimethyl-3-(2- methylphenyl)-5-(4-methylphenyl)-,iodide (9CI) MF C19 H23 N2. I

156 156 IN 1H-Pyrazolium, 1-ethenyl-2- ethyl-3-methyl-,iodide (9CI) MF C8 H13 N2. I

157 157 HOW MANY MORE ANSWERS DO YOU WISH TO SCAN? (1):end => l1 and c h i/elf C H I/ELF L2 7 L1 AND C H I/ELF => d scan

158 158 => d scan L2 7 ANSWERS IN 1H-Pyrazolium, 1-ethenyl-1,3,4(or 2,3,4)-trimethyl-, iodide (9CI) MF C7 H10 N2. C H3 I CM 1 CM 2

159 159 L2 7 ANSWERS REGISTRY IN 1H-Pyrazolium, 1-ethenyl-1(or 2)- ethyl-5-methyl-, iodide MF C6 H8 N2. C2 H5 I CM 1 CM 2

160 160 What compounds containing a --O--O-- linkage in chains or rings, other than hydrogen peroxide and ozone, are used most frequently in organic reactions? Skills Practice

161 161 z Frequent use /REF.CA z “Peroxides” Name fragments or SSS z Use in reactions /LC

162 162 => FILE REGISTRY => S REF.CA>10 L …

163 163 => S L1 AND ?PEROX?/CNS L

164 164 CN 2-Propenoic acid, 2-methyl-, 2-[[[(1,1-dimethylethyl) dioxy] carbonyl]oxy]ethyl ester (9CI) (CA INDEX NAME) Disadvantages of Name Fragment Searching May not be complete May not be precise Peroxidase, glutathione (phospholipid hydroperoxide-reducing

165 165 => Uploading peroxi.str L3 STRUCTURE UPLOADED => D L3 L3 HAS NO ANSWERS L3 STR O-----O Ring or chain atoms and bond

166 166 => S L3 SAM SSS SUBSET=L1 L442.. => S L3 FULL SSS SUBSET=L1 L5825..

167 167 Comparing Approaches Hits Unique to the SSS Approach:

168 168 Comparing Approaches Hits Unique to the Name Fragment Approach: IN 2,4-Pentanedione, peroxide (9CI) Unspecified MF Unspecified IN Peroxidase, glutathione (phospholipid hydroperoxide- reducing) (9CI) Unspecified MF Unspecified

169 169 => S L5 NOT (HYDROGEN PEROXIDE/CN OR OZONE/CN) L

170 170 Focusing on Compounds From Reactions => S L8 AND (CASREACT OR CHEMINFORMRX)/LC L L9 contains “peroxides” that have been cited frequently in the CA/CAplus file and have appeared in reaction databases

171 171 => ANALYZE L9 1- MF L11 ANALYZE L9 1- MF : 283 TERMS => D L11 1- ALPHA L11 ANALYZE L9 1- MF : 283 TERMS TERM # # OCC # DOC % DOC MF AGO AG2O BAO BHO3.H2O.NA ooo CHF3O CH2O CH2O3.XH2O2.2NA ooo

172 172 Restricting the Answers to Certain Elements => S L9 AND C H O/ELF AND 3/ELC.SUB L

173 173 Sorting the Compounds Based on Number of References => SORT L12 1- REF.CA D L13243 SORT L12 1- REF.CA D => D L RN STR REF L13 ANSWER 1 OF 243 RN REGISTRY 5978 REFERENCES IN FILE CA (1967 TO DATE)

174 174 L13 ANSWER 243 OF 243 RN REGISTRY 11 REFERENCES IN FILE CA (1967 TO DATE)

175 175 Skills Practice Locate references discussing the use of small molecules to treat multiple sclerosis.

176 176 z Small molecules /FS and element counts in REGISTRY z Multiple sclerosis Subject terms in CAplus

177 177 => FILE CAPLUS => S MULTIPLE SCLERO? L => S L1 AND SMALL MOL? L2 10..

178 178 REGISTRY Terms for “Small Molecules” z FW (Formula Weight) z Carbon counts (C<10) z NOT PS/FS or NS/FS z FW (Formula Weight) z Carbon counts (C<10) z NOT PS/FS or NS/FS

179 179 => FILE REGISTRY => TRANSFER L1 1- RN ooo L3 TRANSFER L1 1- RN : TERMS ooo L L3

180 180 => S L4 NOT ( PS/FS OR NS/FS) L => S L5 AND C<30 L => D SCAN

181 181 => FILE CAPLUS => S L1 AND L6/THU L => D SCAN TI HITIND ooo IT , Methylprednisolone RL: BAC (Biological activity or effector, except adverse); THU(Therapeutic use); BIOL (Biological study); USES (Uses) (spontaneous remyelination in the toxic nonimmune model...

182 182 Locate information on the preparation of barium calcium copper mercury oxide (HgBaCaCuO) superconductor films. Skills Practice

183 183 z Compounds composed of only Hg Ba Ca Cu O /ELS in REGISTRY /ELC. SUB in REGISTRY z Preparation of films CAS role and subject terms in CAplus

184 184 Elements may be in different components RN REGISTRY IN Barium oxide (BaO) (9CI) MF Ba O RN REGISTRY IN Barium oxide (Ba11O11) (9CI) MF (Ba O)11 RN REGISTRY IN Barium oxide (Ba13O11) (9CI) MF Ba. O

185 185 /ELS contains the elements present in a MF Molecular Formula: C7 H6 O2. K /ELS Search Terms: C/ELS H/ELS O/ELS K/ELS

186 186 (L) proximity requires /ELS terms be in the same AF or MF => FILE REGISTRY => S (HG (L) BA (L) CA (L) CU (L) O)/ELS L1 382 … => D SCAN IN Barium calcium copper mercury thallium oxide (Ba2Ca2Cu3Hg1.4Tl0.6O10.5) (9CI) MF Ba. Ca. Cu. Hg. O. Tl

187 187 /ELC fields specify how many elements Molecular Formula: C7 H6 O2. K /ELC Search Terms: 4/ELC.SUB 3/ELC (for C7H6O2) 1/ELC (for K)

188 188 => S L1 (L) 5/ELC.SUB L2 112 … => D SCAN IN Barium calcium copper mercury oxide (Ba2CaCu2HgO6.6) (9CI) MF Ba. Ca. Cu. Hg. O

189 189 => FILE CAPLUS => S L2/PREP (L) FILM? L320… => D SCAN IT P, Barium calcium copper mercury oxide RL: SPN (Synthetic preparation); PREP (Preparation) (high-temp. barium calcium copper mercury oxide (HgBaCaCuO) superconductor manuf. in bulk and thin films)

190 190 Skills Practice What studies have been published on adverse biological effects of long-chain (C>5) perfluoroalkylcarboxylic acids or any of their simple metal salts? Which acids have been studied most heavily?

191 191 z Perfluoro mono-carboxylic acids /ELF in REGISTRY z Adverse effects CAS role in Caplus z Frequently studied compounds identify via ANALYZE

192 192 /ELF contains the component formulas minus element counts Molecular Formula: C10HF19O2. Na /ELF Search Terms: C H F O/ELF Na/ELF

193 193 => FILE REGISTRY => S C H F O/ELF L … => D SCAN MF C8 H9 F O3

194 194 CF 3 CF 2 CO 2 H CF 3 CF 3 What do you know about the element counts for the desired substances? Exactly 2 O Exactly 1 H C>5

195 195 => S L1 (P) 1/H (P) 2/0 (P) C>5 L2683… => D SCAN MF C9 H F13 O2

196 196 Eliminating Ring-Containing Substances => S L2 NOT RSD/FA L3418… => D SCAN IN Heptane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluoro- 7- [fluoro(pentafluoroethoxy)methoxy]- (9CI) MF C10 H F21 O2

197 197 Focus on Free Acids and Simple Metal Salts => S L3 AND (ACID OR CARBOXY?) L5309… => S L5 AND 1/NC L => S L5 AND M/ELS AND 2/NC L => S L6 OR L7 L8197..

198 198 => FILE CAPLUS => S L8/ADV L947...

199 199 Which acids have been studied most heavily?

200 200 => SEL L9 1- HIT RN E1 THROUGH E8 => D SEL E1-E8 E /BI E /BI E /BI E /BI E /BI E /BI E /BI E /BI

201 201 => FILE REGISTRY => S E1-E8 L10 8… => D SCAN

202 202 Summary z /ELS - element symbols z /ELC.SUB - total number of elements z Element symbols and counts z /ELF - elemental formula z (L) elements in the same MF or AF z (P) elements in the same component

203 203 Find the boiling points at 760 Torr for saturated, unsubstituted alkyl alcohols containing carbon atoms. Skills Practice

204 204 => fil reg => Uploading C:\Program Files\stnexp\Queries\bp.str chain nodes :1 2 chain bonds :1-2 exact/norm bonds :1-2 Hydrogen count :2:>= minimum 1 Connectivity :1:1 E exact RC ring/chain Match level :1:CLASS 2:CLASS Generic attributes :1: Saturation : Saturated Number of Carbon Atoms : 7 or more Element Count :Node 1: Limited C,C10-20 L1 STRUCTURE UPLOADED

205 205 => l1 SAMPLE SEARCH INITIATED 06:04:51 SAMPLE SCREEN SEARCH COMPLETED TO ITERATE 0.1% PROCESSED 1000 ITERATIONS 0 ANSWERS INCOMPLETE SEARCH (SYSTEM LIMIT EXCEEDED) SEARCH TIME: FULL FILE PROJECTIONS: ONLINE **INCOMPLETE** BATCH **INCOMPLETE** PROJECTED ITERATIONS: EXCEEDS PROJECTED ANSWERS: EXCEEDS 0 L2 0 SEA SSS SAM L1

206 206 => c h o/elf and 1/nc and 10-20/c not rsd/fa and bp/fa(l)760 torr/bp.p L C H O/ELF AND 1/NC AND 10-20/C NOT RSD/FA AND BP/FA.... => l1 full subset=l3 FULL SUBSET SEARCH INITIATED 06:13:03 FULL SUBSET SCREEN SEARCH COMPLETED TO ITERATE 100.0% PROCESSED ITERATIONS 1692 ANSWERS SEARCH TIME: L SEA SUB=L3 SSS FUL L1 => d scan

207 207 Find phosphinogold metallocenes similar to CAS RN containing Cu, Ag, or Au halides with two N. Skills Practice

208 208 CAS RN =

209 Retrieve & display names 2. Use nomenclature to retrieve metallocenes 3. Delete Restrict results to Cu, Ag, and Au substances 5. Refine answers to those with one P, at least two N, and Halogens

210 210 => S ; D => E LEFT OCENE/CNS o o o => S ?OCEN?/CNS(L)?PHOSPHIN?/CNS L ?OCEN?/CNS (L) ?PHOSPHIN?/CNS

211 211 B1 in the Periodic group field to include Cu,Ag, and Au. => S L2 NOT L1 L L3 NOT L1 => L3 and B1/PG B1/PG L4 700 L3 AND B1/PG

212 212 => S L4 AND 1/P (P) N>=2 (P) X/ELS P/ELS N>= X/ELS P/ELS (L) N>=2 (L) X/ELS L5 3 L4 AND (1/P (P) N>=2 (P) X/ELS)

213 213

214 214 A company that specializes in the synthesis of carboxylic acids asks you to locate all of the new aliphatic carboxylic acids (since the beginning of 1999) that have preparative information reported for them. The new aliphatic carboxylic acids have these characteristics: >5 carbon atoms Saturated or unsaturated Carbon chain can be branched or straight, but no additional substitution on the acid chain Salt forms are acceptable as long as it is the salt of a new acid and not a new salt form of a known acid Skills Practice

215 215 Identify CAS RN range => FILE REGISTRY => HELP RNYR The highest CAS Registry Number on the file at the beginning of the year for each year since 1968 is shown below. OOO Jan Jan Jan Jan Jan Jan Jan Jan Jan Jan Jan Jan Jan Jan OOO

216 216 => C H O/ELF(P)C>5(P)2/O and acid/ins.hp and no rsd/fa and nc=1 not (pms/ci or ester) RAN= , L C H O/ELF(P)C>5(P)2/O AND

217 217 => sel rn L2 SEL L1 1- RN : 3954 TERMS => l2/crn L3 50 L2/CRN => l3 and nc=2 not pms/ci L4 30 L3 AND NC=2 NOT PMS/CI => l1 or l4 L L1 OR L4

218 218 => fil caplus => l5(l)spn/rl L6 232 L5(L)SPN/RL => d bib hitstr

219 219 Locate references discussing the use of metallocene catalysts to prepare alpha-olefin polymers with high degree of stereoregularity

220 220 => polyolefin/pct L POLYOLEFIN/PCT => Uploading C:\Program Files\Stnexp\Queries\alpha.str L2 STRUCTURE UPLOADED => d L2 HAS NO ANSWERS L2 STR

221 221 => l2 full subset=l1 FULL SUBSET SEARCH INITIATED 13:08:23 FULL SUBSET SCREEN SEARCH COMPLETED TO ITERATE 100.0% PROCESSED ITERATIONS ANSWERS SEARCH TIME: L SEA SUB=L1 SSS FUL L2 => l3 and 2/elc.sub /ELC.SUB L L3 AND 2/ELC.SUB

222 222 => m/rel(s)nrrs>=5(s)c/rel(s)m/rel(s)2/relc L M/REL(S)NRRS>=5(S)C/REL(S)M/REL (S)2/RELC => d scan

223 223

224 224 => fil caplus => d his FILE 'REGISTRY' ENTERED AT... L POLYOLEFIN/PCT L2 STRUCTURE UPLOADED L L2 FULL SUB=L1 L L3 AND 2/ELC.SUB L M/REL(S)NRRS>=5(S)C/REL(S) M/REL(S)2/RELC

225 225 => l4 or alpha(a)(olefin? or alken?) L L4 OR ALPHA(A)(OLEFIN? OR ALKEN?)

226 226 => l7 or ?ocene? or sandwich L L7 OR ?OCENE? OR SANDWICH

227 227 => (polym? or oligomer?)(2a)catal? L (POLYM? OR OLIGOMER?)(2A)CATAL? => (stereo? or isotac? or syndio?) L (STEREO? OR ISOTAC? OR SYNDIO?)

228 228 => d his FILE 'REGISTRY' L POLYOLEFIN/PCT L2 STRUCTURE UPLOADED L L2 FULL SUB=L1 L L3 AND 2/ELC.SUB L M/REL(S)NRRS>=5(S)C/REL(S)M/REL (S)2/RELC FILE 'CAPLUS' L L4 OR ALPHA(A)(OLEFIN? OR ALKEN?) L L7 OR ?OCENE? OR SANDWICH L (POLYM? OR OLIGOMER?)(2A)CATAL? L (STEREO? OR ISOTAC? OR SYNDIO?)

229 229 => l9(l)l10 and l8(l)l L9(L)L L8(L)L11 L L9(L)L10 AND L8(L)L11 => d kwic

230 230 IT Polymerization catalysts (metallocene; manufg. of stereoregular polypropylene using zirconocene catalysts) IT P, Ethylene-propylene syndiotactic copolymer P, Ethylene-propylene isotactic copolymer RL: IMF (Industrial manufacture); PRP (Properties); PREP (Preparation)(manufg. of stereoregular polypropylene and ethylene-propylene copolymers using zirconocene catalysts) IT P, Isotactic polypropylene P, Syndiotactic polypropylene RL: IMF (Industrial manufacture); PRP (Properties); PREP (Preparation)(manufg. of stereoregular polypropylene using zirconocene catalysts)

231 231 What has been reported in from 1997 on the use of chlorinated polystyrene in resists? Skills Practice

232 232 Searching program Searching program:  Chlorination of polystyrene  Homopolymers Chlorinated  Copolymers Chlorinated (all)  SRUs Chlorinated

233 233 Chlorination of polystyrene => styrene/cn L1 1 STYRENE/CN => polystyrene/cn L2 1 POLYSTYRENE/CN

234 234 => fil caplus => l1/d(l)?poly?(l)chlor? or l2/d(l)chlor? L L1/D(L)?POLY?(L)CHLOR? OR L2/D(L)CHLOR?

235 235 => e resists/ct E# FREQUENCY AT TERM E RESISTORS (L) PHOTORESISTORS/CT E RESISTORS (L) THICK- FILM/CT E > RESISTS/CT......

236 236 => e e15+all E BT2 Materials/CT E BT1 Recording materials/CT E > Resists/CT HN Valid heading during volume 66 to present. E OLD Masking/CT E29 UF Masks/CT E NT1 Electron beam resists/CT

237 237 => e27+uf,old,nt L RESISTS+UF,OLD,NT/CT (22 TERMS) => l4 and l7 L8 107 L4 AND L7 => l8 and py> PY>1996 L9 2 L8 AND PY>1996

238 238 => d hit 1-2 L9 ANSWER 1 OF 2 CAPLUS COPYRIGHT 2002 ACS PATENT NO. KIND DATE APPLICATION NO. DATE PI JP A JP <-- JP B IT Resists (multilayer, with chem. amplification top layer resist, bottom layer resist for) IT , Polystyrene D, Polystyrene, chloromethylated L9 ANSWER 2 OF 2 CAPLUS COPYRIGHT 2002 ACS PATENT NO. KIND DATE APPLICATION NO. DATE PI WO A WO 1988-JP W: KR, US RW: AT, BE, CH, DE, FR, GB, IT, LU, NL, SE JP A JP <-- JP B EP A EP EP B R: DE, FR, GB US A US IT Resists (x-ray, graft polymerizable, patterning using) IT D, Polystyrene, chlorinated

239 239 => Styrene/ct(l)?poly?(l)chlor? or polystyrene/ct(l)chlor? L STYRENE/CT(L)?POLY?(L)CHLOR? OR POLYSTYRENE/CT(L)CHLOR? => l10 and l7 L L10 AND L7 => l11 and py> PY>1996 L12 3 L11 AND PY>1996

240 240 Homopolymers Chlorinated => pms/ci and nc=1 and (c h cl or c cl)/elf(p)8/c and (benzene/ins.hp(l)ethen?/ins.nhp or styrene/ins.hp) L3 23 PMS/CI AND NC=1 AND (C H CL OR C CL)/ELF(P)8/C AND (BENZENE/INS.HP(L) ETHEN?/INS.NHP OR STYRENE/INS.HP)

241 241 CN Benzene, chloroethenyl-, homopolymer, syndiotactic (9CI) (CA INDEX NAME) CM 1 CN Benzene, pentachloroethenyl-,homopolymer(9CI)(CA INDEX NAME) OTHER NAMES: CN Poly(2,3,4,5,6-pentachlorostyrene) CM 1

242 242 Copolymers Chlorinated => pms/ci and (c h cl or c cl)/elf(p)8/c and nc>1 and 2-3/elc.sub and (styren?/ins.hp or benzen?/ins.hp(l)ethen?/ins.nhp) L1 126 PMS/CI AND (C H CL OR C CL)/ELF(P)8/C AND NC>1 AND 2- 3/ELC.SUB AND (STYREN?/INS.HP OR BENZEN?/INS.HP(L)ETHEN?/INS.NHP) But both monomers must be chlorinated => l1 not c h/elf C H/ELF L2 21 L1 NOT C H/ELF

243 243 SRUs Chlorinated => (c h cl or c cl)/elf(p)8/c and nc=1 and ("poly("?/hp or sru)(l)phenylen?(l)ethan? L6 11 (C H CL OR C CL)/ELF(P)8/C AND NC=1 AND "POLY("?/HP(L)PHENYLEN?(L)ETHAN?


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