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

HRID 172791
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HRID 172791 반응식
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([NH:9][C:10](=[O:11])[CH:12]2[CH:13]([c:33]3[c:34]([F:40])[c:35]([Cl:39])[cH:36][cH:37][cH:38]3)[C:14]3([C:15](=[O:25])[NH:16][c:17]4[cH:18][c:19]([Cl:24])[cH:20][c:21]([F:23])[c:22]43)[CH:26]([CH2:28][C:29]([CH3:30])([CH3:31])[CH3:32])[NH:27]2)[cH:7][cH:8]1.[CH3:45][S:46]([CH3:47])=[O:48].[Na+:44].[OH-:43].[OH:41][OH:42]>>[C:1]([NH2:2])([c:3]1[cH:4][cH:5][c:6]([NH:9][C:10](=[O:11])[CH:12]2[CH:13]([c:33]3[c:34]([F:40])[c:35]([Cl:39])[cH:36][cH:37][cH:38]3)[C:14]3([C:15](=[O:25])[NH:16][c:17]4[cH:18][c:19]([Cl:24])[cH:20][c:21]([F:23])[c:22]43)[CH:26]([CH2:28][C:29]([CH3:30])([CH3:31])[CH3:32])[NH:27]2)[cH:7][cH:8]1)=[O:41]
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6

반응물 5

HCID 679Dimethyl SulfoxideHCID 784Hydrogen PeroxideHCID 923Sodium IonHCID 961HydroxideHCID 75986161rac-(2'S,3'R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-4-fluoro-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid (4-cyano-phenyl)-amide

생성물 1

HCID 75986249
rac-(2'S,3'R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-4-fluoro-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid (4-carbamoyl-phenyl)-amide

출처 및 근거

ORD 기록
ord-c607babfcda143d0a15cc0050f5b7cf3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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