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Dichloromethane → 4-[3-(4,6-Dimethyl-pyridin-3-yl)-phenyl]-7-methyl-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

HRID 1204847
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HRID 1204847 반응식
[C:1]([O:2][C:3](=[O:4])[NH:7][c:8]1[c:9]([NH:19][C:20]([CH2:21][C:22](=[O:5])[c:24]2[cH:25][c:26](-[c:30]3[cH:31][n:32][c:33]([CH3:37])[cH:34][c:35]3[CH3:36])[cH:27][cH:28][cH:29]2)=[O:38])[cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[c:12]([CH3:14])[cH:13]1)([CH3:6])([CH3:23])[CH3:39].[Cl:47][CH2:48][Cl:49].[F:40][C:41]([F:42])([F:43])[C:44]([OH:45])=[O:46]>>[N:7]1=[C:22]([c:24]2[cH:25][c:26](-[c:30]3[cH:31][n:32][c:33]([CH3:37])[cH:34][c:35]3[CH3:36])[cH:27][cH:28][cH:29]2)[CH2:21][C:20](=[O:38])[NH:19][c:9]2[c:8]1[cH:13][c:12]([CH3:14])[c:11]([C:15]([F:16])([F:17])[F:18])[cH:10]2
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참가 물질

4

반응물 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 86589409(2-{3-[3-(4,6-Dimethyl-pyridin-3-yl)-phenyl]-3-oxo-propionylamino}-5-methyl-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

생성물 1

HCID 223178554-[3-(4,6-Dimethyl-pyridin-3-yl)-phenyl]-7-methyl-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one

출처 및 근거

ORD 기록
ord-99e2dfa4d8ce412dac00ff99e45992dc
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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