1-Phenethylamine → 10-[(2-Methoxy-2'-methyl-1,1'-biphenyl-4-YL)carbonyl]-N-(1-phenylethyl)-10,11-dihydro-5H-pyrrolo[2,1-C][1,4]benzodiazepine-3-carboxamide

반응식

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

참가 물질

반응물 2

HCID 74081-Phenethylamine

HCID 160388252,2,2-Trichloro-1-{10-[(2-methoxy-2'-methyl-1,1'-biphenyl-4-yl)carbonyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl}ethanone

생성물 1

HCID 6867941810-[(2-Methoxy-2'-methyl-1,1'-biphenyl-4-YL)carbonyl]-N-(1-phenylethyl)-10,11-dihydro-5H-pyrrolo[2,1-C][1,4]benzodiazepine-3-carboxamide

출처 및 근거

ORD 기록: ord-dd4183a5f64247c784d52a6764c9d3d4
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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