2,4-Dimethylbenzylamine → N-(2,4-Dimethylbenzyl)-10-[(2,2'-dimethyl-1,1'-biphenyl-4-YL)carbonyl]-10,11-dihydro-5H-pyrrolo[2,1-C][1,4]benzodiazepine-3-carboxamide

HRID 149874

반응식

HRID 149874 반응식
[CH3:37][c:38]1[c:39]([CH2:40][NH2:41])[cH:42][cH:43][c:44]([CH3:46])[cH:45]1.[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]([CH3:34])[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:35])[Cl:36]>>[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]([CH3:34])[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:41][CH2:40][c:39]1[c:38]([CH3:37])[cH:45][c:44]([CH3:46])[cH:43][cH:42]1

참가 물질

3

반응물 2

HCID 667612,4-DimethylbenzylamineHCID 160384712,2,2-Trichloro-1-{10-[(2,2'-dimethyl-1,1'-biphenyl-4-yl)carbonyl]-10,11-dihydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-3-yl}ethanone

생성물 1

HCID 16038613N-(2,4-Dimethylbenzyl)-10-[(2,2'-dimethyl-1,1'-biphenyl-4-YL)carbonyl]-10,11-dihydro-5H-pyrrolo[2,1-C][1,4]benzodiazepine-3-carboxamide

출처 및 근거

ORD 기록
ord-92a96dd9ba4443d49ab0ed72b79cf78f
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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