Dichloromethane → 7-Chloro-4-(3-imidazol-1-yl-phenyl)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

HRID 820531노트

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 86586999{5-Chloro-2-[3-(3-imidazol-1-yl-phenyl)-3-oxo-propionylamino]-4-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester

생성물 1

HCID 185489087-Chloro-4-(3-imidazol-1-yl-phenyl)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

출처 및 근거

ORD 기록: ord-12ee3a21e39a4ccf803f4377bb8d309e
출처 데이터셋: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

반응 노트

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