Methyl 4-(4-Methoxybenzenesulfonyl)-2,3,4,5-tetrahydro-1H-[1,4]benzodiazepine-3-carboxylate → methyl 4-(4-methoxybenzenesulfonyl)-1-[2-chloro-4-(3-methyl-1-pyrazolyl)phenylcarbonyl]-2,3,4,5-tetrahydro-1H-[1,4]benzodiazepine-3-carboxylate

반응식

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

참가 물질

반응물 2

HCID 18612753Methyl 4-(4-Methoxybenzenesulfonyl)-2,3,4,5-tetrahydro-1H-[1,4]benzodiazepine-3-carboxylate

HCID 226054464-(3-Methyl-1-pyrazolyl)-2-chlorobenzoyl chloride

생성물 1

HCID 17926485methyl 4-(4-methoxybenzenesulfonyl)-1-[2-chloro-4-(3-methyl-1-pyrazolyl)phenylcarbonyl]-2,3,4,5-tetrahydro-1H-[1,4]benzodiazepine-3-carboxylate

출처 및 근거

ORD 기록: ord-8614f79536594dad9b6d478cb942cc73
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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