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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 86589260{4-Chloro-5-methyl-2-[3-oxo-3-(3-pyridazin-4-yl-phenyl)-propionylamino]-phenyl}-carbamic acid tert-butyl ester

생성물 1

HCID 223175708-Chloro-7-methyl-4-(3-pyridazin-4-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

출처 및 근거

ORD 기록: ord-37253fe5bff34f82b074dffe70337917
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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