Dichloromethane → 8-(2,3-Difluoro-phenyl)-4-(3-[1,2,3]triazol-1-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

HRID 115867

반응식

[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:22][C:23]([CH2:24][C:25](=[O:5])[c:26]2[cH:27][c:28](-[n:32]3[n:33][n:34][cH:35][cH:36]3)[cH:29][cH:30][cH:31]2)=[O:38])[cH:10][c:11](-[c:14]2[c:15]([F:21])[c:16]([F:20])[cH:17][cH:18][cH:19]2)[cH:12][cH:13]1)([CH3:6])([CH3:37])[CH3:39].[Cl:47][CH2:48][Cl:49].[F:40][C:41]([F:42])([F:43])[C:44]([OH:45])=[O:46]>>[N:7]1=[C:25]([c:26]2[cH:27][c:28](-[n:32]3[n:33][n:34][cH:35][cH:36]3)[cH:29][cH:30][cH:31]2)[CH2:24][C:23](=[O:38])[NH:22][c:9]2[c:8]1[cH:13][cH:12][c:11](-[c:14]1[c:15]([F:21])[c:16]([F:20])[cH:17][cH:18][cH:19]1)[cH:10]2

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 86588079{2',3'-Difluoro-3-[3-oxo-3-(3-[1,2,3]triazol-1-yl-phenyl)-propionylamino]-biphenyl-4-yl}-carbamic acid tert.-butyl ester

생성물 1

HCID 99097678-(2,3-Difluoro-phenyl)-4-(3-[1,2,3]triazol-1-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

출처 및 근거

ORD 기록: ord-473816784424493c9b40b4d912228cf0
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

연결된 노트

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