Acetic Acid → N-{5-[(cyclopropylamino)methyl]-2-methylphenyl}-4-[(4-phenylquinazolin-2-yl)amino]benzamide
Reaction equation
[C:45]([O:46][BH-:47]([O:48][C:49](=[O:50])[CH3:51])[O:52][C:53](=[O:54])[CH3:55])(=[O:56])[CH3:57].[CH3:62][C:63](=[O:64])[OH:65].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([CH3:35])[c:7]([NH:9][C:10]([c:11]2[cH:12][cH:13][c:14]([NH:17][c:18]3[n:19][c:20]4[cH:21][cH:22][cH:23][cH:24][c:25]4[c:26](-[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[n:27]3)[cH:15][cH:16]2)=[O:34])[cH:8]1.[CH:36]1([NH2:39])[CH2:37][CH2:38]1.[Cl:59][CH2:60][Cl:61].[Na+:58].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1>>[CH2:1]([c:3]1[cH:4][cH:5][c:6]([CH3:35])[c:7]([NH:9][C:10]([c:11]2[cH:12][cH:13][c:14]([NH:17][c:18]3[n:19][c:20]4[cH:21][cH:22][cH:23][cH:24][c:25]4[c:26](-[c:28]4[cH:29][cH:30][cH:31][cH:32][cH:33]4)[n:27]3)[cH:15][cH:16]2)=[O:34])[cH:8]1)[NH:39][CH:36]1[CH2:37][CH2:38]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-721edeb48fce42e58cc613c6c0a61fbf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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