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

참가 물질

반응물 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 86589329{5-Ethoxy-2-[3-oxo-3-(3-pyridin-3-yl-phenyl)-propionylamino]-phenyl}-carbamic acid tert-butyl ester

생성물 1

HCID 223177957-Ethoxy-4-(3-pyridin-3-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

출처 및 근거

ORD 기록: ord-759d17b55e17459194b2ffe886f16453
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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