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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Dimethyl Sulfoxide → rac-(2'S,3'R,4'R,5'R)-6-chloro-4'-(3-chloro-5-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid (4-carbamoyl-2-methoxy-phenyl)-amide

HRID 1240280
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HRID 1240280 반응식
[C:1](#[N:2])[c:3]1[cH:4][c:5]([O:40][CH3:41])[c:6]([NH:9][C:10](=[O:11])[CH:12]2[CH:13]([c:32]3[cH:33][c:34]([Cl:39])[cH:35][c:36]([F:38])[cH:37]3)[C:14]3([C:15](=[O:24])[NH:16][c:17]4[cH:18][c:19]([Cl:23])[cH:20][cH:21][c:22]43)[CH:25]([CH2:27][C:28]([CH3:29])([CH3:30])[CH3:31])[NH:26]2)[cH:7][cH:8]1.[CH3:46][S:47]([CH3:48])=[O:49].[Na+:45].[OH-:44].[OH:42][OH:43]>>[C:1]([NH2:2])([c:3]1[cH:4][c:5]([O:40][CH3:41])[c:6]([NH:9][C:10](=[O:11])[CH:12]2[CH:13]([c:32]3[cH:33][c:34]([Cl:39])[cH:35][c:36]([F:38])[cH:37]3)[C:14]3([C:15](=[O:24])[NH:16][c:17]4[cH:18][c:19]([Cl:23])[cH:20][cH:21][c:22]43)[CH:25]([CH2:27][C:28]([CH3:29])([CH3:30])[CH3:31])[NH:26]2)[cH:7][cH:8]1)=[O:42]
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6

반응물 5

HCID 679Dimethyl SulfoxideHCID 784Hydrogen PeroxideHCID 923Sodium IonHCID 961HydroxideHCID 75985333rac-(2'S,3'R,4'R,5'R)-6-chloro-4'-(3-chloro-5-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid (4-cyano-2-methoxy-phenyl)-amide

생성물 1

HCID 75985334
rac-(2'S,3'R,4'R,5'R)-6-chloro-4'-(3-chloro-5-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid (4-carbamoyl-2-methoxy-phenyl)-amide

출처 및 근거

ORD 기록
ord-1643f96887184d478108204c1b67ce9d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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