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

HRID 86840

반응식

HRID 86840 반응식
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:20][C:21]([CH2:22][C:23](=[O:5])[c:24]2[cH:25][c:26](-[c:30]3[cH:31][n:32][cH:33][cH:34][cH:35]3)[cH:27][cH:28][cH:29]2)=[O:37])[cH:10][c:11]([C:16]([F:17])([F:18])[F:19])[c:12]([O:14][CH3:15])[cH:13]1)([CH3:6])([CH3:36])[CH3:38].[Cl:46][CH2:47][Cl:48].[F:39][C:40]([F:41])([F:42])[C:43]([OH:44])=[O:45]>>[N:7]1=[C:23]([c:24]2[cH:25][c:26](-[c:30]3[cH:31][n:32][cH:33][cH:34][cH:35]3)[cH:27][cH:28][cH:29]2)[CH2:22][C:21](=[O:37])[NH:20][c:9]2[c:8]1[cH:13][c:12]([O:14][CH3:15])[c:11]([C:16]([F:17])([F:18])[F:19])[cH:10]2

참가 물질

4

반응물 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86589340{5-Methoxy-2-[3-oxo-3-(3-pyridin-3-yl-phenyl)-propionylamino]-4-trifluoromethyl-phenyl}-carbamic acid tert-butyl ester

생성물 1

HCID 112698857-Methoxy-4-(3-pyridin-3-yl-phenyl)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

출처 및 근거

ORD 기록
ord-87550403db994521b76fe8868dc581f1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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