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

HRID 2345512노트

반응식

[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:24][C:25]([CH2:26][C:27](=[O:5])[c:28]2[cH:29][c:30](-[c:34]3[cH:35][cH:36][n:37][cH:38][cH:39]3)[cH:31][cH:32][cH:33]2)=[O:41])[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[cH:13]1)([CH3:6])([CH3:40])[CH3:42].[Cl:50][CH2:51][Cl:52].[F:43][C:44]([F:45])([F:46])[C:47]([OH:48])=[O:49]>>[N:7]1=[C:27]([c:28]2[cH:29][c:30](-[c:34]3[cH:35][cH:36][n:37][cH:38][cH:39]3)[cH:31][cH:32][cH:33]2)[CH2:26][C:25](=[O:41])[NH:24][c:9]2[c:8]1[cH:13][c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[c:11]([C:20]([F:21])([F:22])[F:23])[cH:10]2

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 86589250[2-[3-Oxo-3-(3-pyridin-4-yl-phenyl)-propionylamino]-5-(2,2,2-trifluoro-ethoxy)-4-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester

생성물 1

HCID 223171454-(3-Pyridin-4-yl-phenyl)-7-(2,2,2-trifluoro-ethoxy)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

출처 및 근거

ORD 기록: ord-47a776f8568048929b3cc42661b05e15
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

반응 노트

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