1-methyl-1H-imidazole-4-sulfonamide → 2-{4-[6-Chloro-2-ethyl-5-(trifluoromethyl)-1H-benzimidazol-1-YL]phenyl}ethyl-(1-methyl-1H-imidazol-4-YL)sulfonylcarbamate

반응식

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

참가 물질

반응물 2

HCID 27368851-methyl-1H-imidazole-4-sulfonamide

HCID 218764092-{4-[6-chloro-2-ethyl-5-(trifluoromethyl)-1H-benzimidazol-1-yl]phenyl}ethyl phenyl carbonate

생성물 1

HCID 218756912-{4-[6-Chloro-2-ethyl-5-(trifluoromethyl)-1H-benzimidazol-1-YL]phenyl}ethyl-(1-methyl-1H-imidazol-4-YL)sulfonylcarbamate

출처 및 근거

ORD 기록: ord-a35d2e89314c45ea8c92f9f4cfd56346
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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