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Hydrochloric Acid → 1-methyl-4-(pyrimidin-2-ylmethyl)-7-(4-(trifluoromethoxy)phenyl)-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione

HRID 301591
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HRID 301591 반응식
[CH3:1][N:2]1[C:3](=[O:25])[CH2:4][NH:5][C:6](=[O:24])[c:7]2[c:8]1[cH:9][cH:10][c:11](-[c:13]1[cH:14][cH:15][c:16]([O:19][C:20]([F:21])([F:22])[F:23])[cH:17][cH:18]1)[cH:12]2.[Cl:29][CH2:30][c:31]1[n:32][cH:33][cH:34][cH:35][n:36]1.[ClH:28].[H-:27].[Na+:26].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41]>>[CH3:1][N:2]1[C:3](=[O:25])[CH2:4][N:5]([CH2:30][c:31]2[n:32][cH:33][cH:34][cH:35][n:36]2)[C:6](=[O:24])[c:7]2[c:8]1[cH:9][cH:10][c:11](-[c:13]1[cH:14][cH:15][c:16]([O:19][C:20]([F:21])([F:22])[F:23])[cH:17][cH:18]1)[cH:12]2
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7

반응물 6

HCID 313Hydrochloric AcidHCID 923Sodium IonHCID 6228DimethylformamideHCID 166653HydrideHCID 128773712-(Chloromethyl)pyrimidineHCID 711831331-Methyl-7-(4-(trifluoromethoxy)phenyl)-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione

생성물 1

HCID 71183352
1-methyl-4-(pyrimidin-2-ylmethyl)-7-(4-(trifluoromethoxy)phenyl)-3,4-dihydro-1H-benzo[e][1,4]diazepine-2,5-dione

출처 및 근거

ORD 기록
ord-c13d63d8ac7d4d1ab5fe0db1c9d9bbcd
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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