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

HRID 1148934
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HRID 1148934 반응식
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:21][C:22]([CH2:23][C:24](=[O:5])[c:26]2[cH:27][c:28](-[n:32]3[c:33]([CH3:38])[n:34][c:35]([CH3:37])[cH:36]3)[cH:29][cH:30][cH:31]2)=[O:39])[cH:10][c:11](-[c:14]2[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]2)[cH:12][cH:13]1)([CH3:6])([CH3:25])[CH3:40].[Cl:48][CH2:49][Cl:50].[F:41][C:42]([F:43])([F:44])[C:45]([OH:46])=[O:47]>>[N:7]1=[C:24]([c:26]2[cH:27][c:28](-[n:32]3[c:33]([CH3:38])[n:34][c:35]([CH3:37])[cH:36]3)[cH:29][cH:30][cH:31]2)[CH2:23][C:22](=[O:39])[NH:21][c:9]2[c:8]1[cH:13][cH:12][c:11](-[c:14]1[cH:15][cH:16][c:17]([F:20])[cH:18][cH:19]1)[cH:10]2
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반응물 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86588044(3-{3-[3-(2,4-Dimethyl-imidazol-1-yl)-phenyl]-3-oxo-propionylamino}-4'-fluoro-biphenyl-4-yl)-carbamic acid tert.-butyl ester

생성물 1

HCID 222247394-[3-(2,4-Dimethyl-imidazol-1-yl)-phenyl]-8-(4-fluoro-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one

출처 및 근거

ORD 기록
ord-009271a1940241af9edc26cf6ff0b2b5
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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