Phenyl 2-[4-(3,5-dimethyl-4-phenyl-1H-pyrazol-1-yl)phenyl]ethylcarbamate → 5-Chloro-N-[({2-[4-(3,5-dimethyl-4-phenyl-1H-pyrazol-1-yl)phenyl]ethyl}amino)carbonyl]-2-pyridinesulfonamide

반응식

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

참가 물질

반응물 2

HCID 22244550Phenyl 2-[4-(3,5-dimethyl-4-phenyl-1H-pyrazol-1-yl)phenyl]ethylcarbamate

HCID 222445715-Chloropyridine-2-sulfonamide

생성물 1

HCID 222446665-Chloro-N-[({2-[4-(3,5-dimethyl-4-phenyl-1H-pyrazol-1-yl)phenyl]ethyl}amino)carbonyl]-2-pyridinesulfonamide

출처 및 근거

ORD 기록: ord-be7a0f7c820e435db737aab2400249c6
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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