Dichloromethane → 4-(3-Chloro-thiophen-2-yl)-8-o-tolyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 86588005{3-[3-(3-Chloro-thiophen-2-yl)-3-oxo-propionylamino]-2'-methyl-biphenyl-4-yl}-carbamic acid tert.-butyl ester

생성물 1

HCID 222245664-(3-Chloro-thiophen-2-yl)-8-o-tolyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

출처 및 근거

ORD 기록: ord-75b17ed46ebf4844a6025a0b91a1b4b2
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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