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

HRID 2345993노트

반응식

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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 86589361(5-Cyclopropylmethoxy-2-{3-[3-(2-methyl-pyridin-4-yl)-phenyl]-3-oxo-propionylamino}-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

생성물 1

HCID 113517727-Cyclopropylmethoxy-4-[3-(2-methyl-pyridin-4-yl)-phenyl]-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

출처 및 근거

ORD 기록: ord-a976c7bbd48645f6b4ad0c1c194e23c1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

반응 노트

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