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REGISTRY Dictionary.

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Presentation on theme: "REGISTRY Dictionary."— Presentation transcript:

1 REGISTRY Dictionary

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

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

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

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

7 => cyclopentaneacetic acid/hp(l)(2 or 3 or 4 or 5)(10w)(
=> 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 L CYCLOPENTANEACETIC ACID/HP

8 => (cyclopent. (l)acet. )/ins. nhp(l)(2 or 3 or 4 or 5)(10w)(
=> (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 L6 2618 L1 OR L2 => l1 not l2 L3 956 L1 NOT L2 => d cn
CN Cyclopentaneacetic acid, 2-oxo-2-[(2,4,6-trimethylphenyl)amino]ethyl ester (9CI) (CA INDEX NAME) => l2 not l1 L L2 NOT L1 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 L L1 AND L2  CN Cyclopentaneacetic acid, 3-oxo-2-(2Z)-2-pentenyl-, (1R,2R)-, compd. with morpholine (1:1) (9CI) (CA INDEX NAME) OTHER CA INDEX NAMES: CN Morpholine, (1R,2R)-3-oxo-2-(2Z)-2-pentenylcyclopentaneacetate(9CI) L L1 OR L2

10 IN Cyclopentaneacetic acid, 1-carboxy-5-(p-methoxyphenyl)-
=> l6 and ids/ci L 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 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 2 CM 3

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

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

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

16 L8 STRUCTURE UPLOADED

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

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

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

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

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

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

25 IT , Methyl jasmonate

26 IT P, Paclitaxel RL: PREP (Preparation)

27 Molecular Formula Search

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

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 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) The Operators W or A are not working

31 Molecular Formula Search
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.

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

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

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

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 Molecular Formula Search
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.

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

38 Molecular Formula Search
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.

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

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

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

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

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

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 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 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 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 : CAPLUS GI AB The stereo- and regiochem. aspects of the reactions of xanthinium methylides (e.g., I; R = cyano, CO2Me, Bz, COC6H4Br-4)

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

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

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 L NCNC2-NCNC3/ES(P)C6/EA AND

53 Molecular Formula Search
Complexes => fil reg => C2 H6 Co O5/MF L 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 Molecular Formula Search
Complexes Find the RN of the salt formed between the following two components:

55 Molecular Formula Search
Complexes => fil reg => C5 H18 Cl Co N4 O2 . 2 Cl O4/mf L 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

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

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

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

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

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

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

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

63 MF Indexing for Polymers in Basic Index
Molecular Formula (/MF) Basic Index (/BI or none) (C5H8O2)x C5H8O2 (C7H10Cl2O4.C4H10N2)x C7H10Cl2O4 C4H10N2 (C12H2O4)n C12H2O4 (C2H4O)nC28H 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.CH2I C5H8O2 C3H3N CH2I2 (C5H8O2.C3H3N)x

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

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

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 Skills Practice Find the RN for the salt between:

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

69

70 => c13h21n3o.ch3i/mf L 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 Skills Practice Find the Rn for the following complex:

72 => C9 H18 Cl2 Co O11/mf L 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 Isolate the Cobalt element, or ions, among compounds with MF=CO
Skills Practice Isolate the Cobalt element, or ions, among compounds with MF=CO

74 => co/mf L CO/MF => c o/mf L C O/MF => l1 not l2 L L1 NOT L2 => l1 and cobalt COBALT L L1 AND COBALT

75 Formula Search Fields

76 Formula Search Fields

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

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

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

80 Formula Search Fields

81 Formula Search Fields => c h br/elf L1 27484 C H BR/ELF => d hit
=> d hit L1 ANSWER 1 OF REGISTRY MF (C10 H20 Br2 . C10 H17 N3 O4 S2 . (C2 H4 O)n C4 H8 Br2 O)x

82 Formula Search Fields => c h o . c h n/elf L2 468 C H O . C H N/ELF
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 MF C7 H6 N2 O4 . C6 H15 N . C4 H8 O

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

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

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

86 Formula Search Fields => 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 => c h/elf(l)nc=1 not rsd/fa not pms/ci

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

88 Formula Search Fields => (S(L)Se(L)X)/ELS L1 3780 (S(L)SE(L)X)/ELS
/ELS (L) versus (P) => (S(L)Se(L)X)/ELS L (S(L)SE(L)X)/ELS MF C42H42O2SeTe2 . 2CF3O3S => (S(P)Se(P)X)/ELS L (S(P)SE(P)X)/ELS MF C9H17ClOS Se

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

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

91 Formula Search Fields => (B(L)H(L)M)/ELS NOT C/ELS
/ELS (L) NOT, (P) (NOTP) => (B(L)H(L)M)/ELS NOT C/ELS L (B(L)H(L)M)/ELS NOT C/ELS 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 MF C24 H20 P . B4 H16 Y

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

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

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

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

96 Formula Search Fields RN REGISTRY

97 Formula Search Fields

98 Formula Search Fields => 52954-13-9 L1 1 52954-13-9 (52954-13-9/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 L L1 AND L2

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

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

101 Formula Search Fields /ELS.MCF versus /ELS => (B(L)NI)/ELS.MCF
L (B(L)NI)/ELS.MCF 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 L L3 AND NC>1 /ELS gets also monocomponent compounds with B and Ni

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

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

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

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

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

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

108 Formula Search Fields => 1/sb and 3/x L1 2347 1/SB AND 3/X
Element counts => 1/sb and 3/x L /SB AND 3/X => d kwic L3 ANSWER 1 OF 11 REGISTRY MF Br . Hg . Sb . Tl AF Br3 Hg3 Sb2 Tl

109 Formula Search Fields => 1/sb(l)3/x L3 2336 1/SB(L)3/X
Element counts => 1/sb(l)3/x L /SB(L)3/X  L4 ANSWER MF I . La . Sb AF I3 La3 Sb  L5 ANSWER 1 OF MF C18 H12 Br3 N . Cl5 Sb

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

111 Formula Search Fields => 14/c(p)4/o(p)n>=2
Element counts => 14/c(p)4/o(p)n>=2 L /C(P)4/O(P)N>=2 => d mf L1 ANSWER 1 OF 52760 MF C14 H14 N2 O4

112 Formula Search Fields => 14/c(xa)4/o(xa)n>=2
Element counts => 14/c(xa)4/o(xa)n>=2 L /C(xa)4/O(xa)N>=2 => d mf L1 ANSWER 1 OF 52760 MF C14 H14 N2 O4

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

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

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

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

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

118 Formula Search Fields => c h n o/elf(p)6/o(p)2/n
Element counts => 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 MF C23 H40 N2 O6

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

120 Formula Search Fields => 74-82-8 (methane CH4) L5 1 74-82-8
Element counts => (methane CH4) L ( /RN)  => l5 and 1/c L L5 AND 1/C

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

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

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

124 Formula Search Fields Periodic Group (/PG) E4 460823 A1/PG
E ACTN/PG E B1/PG E B2/PG E B3/PG

125 Formula Search Fields Periodic Group (/PG) E16 305603 B4/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

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

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

128 Formula Search Fields => (pd(p)n)/els(p)(a6(p)a7)/pg
Periodic Group (/PG) => (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 11110 MF C66 H52 Cl2 Fe N2 O8 P2 Pd2

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

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

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

132 Formula Search Fields => 2/elc(l)3/elc L1 304155 2/ELC(L)3/ELC
Component Element Count (/ELC) => 2/elc(l)3/elc L /ELC(L)3/ELC => l1 and nc=2 L L1 AND NC=2 MF C42 H87 Mn . Cl Mg

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 Formula Search Fields => rb/els(l)5/elc L5 1775 RB/ELS(L)5/ELC
Component Element Count (/ELC) => rb/els(l)5/elc L RB/ELS(L)5/ELC MF C6 H5 N O4 S2 . H2 O . Rb

135 Formula Search Fields => rb/els(p)5/elc L6 1442 RB/ELS(P)5/ELC
Component Element Count (/ELC) => rb/els(p)5/elc L RB/ELS(P)5/ELC MF C19 H32 O P Rb

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

137 Formula Search Fields Substance Element Count (/ELC.SUB)
L /ELC.SUB MF Si . U AF Si3 U MF C15 H16 MF C3 Al4 . Al

138 Formula Search Fields Substance Element Count (/ELC.SUB)
=> 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 MF C6 H7 D D is indexed twice: as D, and as H

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

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

141 Formula Search Fields => fil reg => e polyolefins/pct
=> e polyolefins/pct E POLYNUCLEOTIDE/PCT E POLYOLEFIN/PCT E > 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

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

143 Formula Search Fields 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

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

145 Formula Search Fields Formula Weight (/FW) 174

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

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

149 => 420-430/fw and 630-640 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 TO ITERATE 100.0% PROCESSED ITERATIONS ANSWERS SEARCH TIME: L SEA SUB=L2 SSS FUL L1

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

152 L4 ANSWER 1 OF 2 CAPLUS COPYRIGHT 2003 ACS
AN : CAPLUS Full-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 Skills Practice Find all possible salts of 1H-Pyrazoles with Alkyl Iodides

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

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

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

157 => l1 and c h i/elf 11256 C H I/ELF L2 7 L1 AND C H I/ELF
HOW MANY MORE ANSWERS DO YOU WISH TO SCAN? (1):end => l1 and c h i/elf 11256 C H I/ELF L L1 AND C H I/ELF => d scan

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

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

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

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

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

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

166 => S L3 SAM SSS SUBSET=L1
=> S L3 FULL SSS SUBSET=L1 L

167 Comparing Approaches Hits Unique to the SSS Approach:

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

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

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 => ANALYZE L9 1- MF L11 ANALYZE L9 1- MF : 283 TERMS
=> D L ALPHA TERM # # OCC # DOC % DOC MF AGO2 AG2O2 BAO2 BHO3.H2O.NA ooo CHF3O2 CH2O2 CH2O3.XH2O2.2NA

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

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

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

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

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

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

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

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

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

181 => FILE CAPLUS => S L1 AND L6/THU L7 373...
=> 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 Skills Practice Locate information on the preparation of barium calcium copper mercury oxide (HgBaCaCuO) superconductor films.

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

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 Molecular Formula: C7 H6 O2 . K /ELS Search Terms: C/ELS H/ELS O/ELS
/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 => S (HG (L) BA (L) CA (L) CU (L) O)/ELS L1 382 … => D SCAN
(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 L … => D SCAN IN Barium calcium copper mercury thallium oxide (Ba2Ca2Cu3Hg1.4Tl0.6O10.5) (9CI) MF Ba . Ca . Cu . Hg . O . Tl

187 Molecular Formula: C7 H6 O2 . K /ELC Search Terms: 4/ELC.SUB
/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 => 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 => FILE CAPLUS => S L2/PREP (L) FILM? L3 20… => 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 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 Perfluoro mono-carboxylic acids
/ELF in REGISTRY Adverse effects CAS role in Caplus Frequently studied compounds identify via ANALYZE

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

193 => FILE REGISTRY => S C H F O/ELF L1 165685… => D SCAN
MF C8 H9 F O3

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

195 => S L1 (P) 1/H (P) 2/0 (P) C>5 L2 683…
=> D SCAN MF C9 H F13 O2

196 Eliminating Ring-Containing Substances
=> S L2 NOT RSD/FA L3 418… => 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 Focus on Free Acids and Simple Metal Salts
=> S L3 AND (ACID OR CARBOXY?) L5 309… => S L5 AND 1/NC L => S L5 AND M/ELS AND 2/NC L => S L6 OR L7 L

198 => FILE CAPLUS => S L8/ADV L

199 Which acids have been studied most heavily?

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

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

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

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 L STRUCTURE UPLOADED

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

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 ANSWERS SEARCH TIME: L SEA SUB=L3 SSS FUL L1 => d scan

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

208 CAS RN =

209 Retrieve 173962-72-6 & display names
Use nomenclature to retrieve metallocenes Delete Restrict results to Cu, Ag, and Au substances Refine answers to those with one P, at least two N, and Halogens

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

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 L L3 AND B1/PG B1 in the Periodic group field to include Cu,Ag, and Au.

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

213

214 Skills Practice 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

215 => FILE REGISTRY => HELP RNYR
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

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

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

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

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

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 => 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

224 => fil caplus => d his FILE 'REGISTRY' ENTERED AT. . . L POLYOLEFIN/PCT L 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 => l4 or alpha(a)(olefin? or alken?)
L L4 OR ALPHA(A)(OLEFIN? OR ALKEN?)

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

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

228 => d his FILE 'REGISTRY' L POLYOLEFIN/PCT L 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 => l9(l)l10 and l8(l)l11 8512 L9(L)L10 14861 L8(L)L11 L L9(L)L10 AND L8(L)L11 => d kwic

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 (Preparation)(manufg. of stereoregular polypropylene using

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

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

233 Chlorination of polystyrene
=> styrene/cn L STYRENE/CN => polystyrene/cn L POLYSTYRENE/CN

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

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 E UF Masks/CT E NT1 Electron beam resists/CT

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

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 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 (x-ray, graft polymerizable, patterning using) IT D, Polystyrene, chlorinated

239 => l10 and l7 L11 113 L10 AND L7 => l11 and py>1996
=> 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>1996 PY>1996 L L11 AND PY>1996

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) L 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 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 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) L 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 L L1 NOT C H/ELF

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? L (C H CL OR C CL)/ELF(P)8/C AND NC=1 AND "POLY("?/HP(L)PHENYLEN?(L)ETHAN?


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