Ethanol → 7-(3-Amino-propyl)-9-chloro-2-(3,4-dimethoxy-phenylamino)-5H,7H-benzo[b]pyrimido[4,5-d]azepin-6-one
Reaction equation
[CH3:43][NH2:44].[CH3:45][CH2:46][OH:47].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:42]1)[N:7]([CH2:28][CH2:29][CH2:30][N:31]1[C:32](=[O:33])[c:34]3[c:35]([cH:36][cH:37][cH:38][cH:39]3)[C:40]1=[O:41])[C:8](=[O:27])[CH2:9][c:10]1[c:11]-2[n:12][c:13]([NH:16][c:17]2[cH:18][c:19]([O:25][CH3:26])[c:20]([O:23][CH3:24])[cH:21][cH:22]2)[n:14][cH:15]1.[Cl:48][CH2:49][Cl:50]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:42]1)[N:7]([CH2:28][CH2:29][CH2:30][NH2:31])[C:8](=[O:27])[CH2:9][c:10]1[c:11]-2[n:12][c:13]([NH:16][c:17]2[cH:18][c:19]([O:25][CH3:26])[c:20]([O:23][CH3:24])[cH:21][cH:22]2)[n:14][cH:15]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-9e1d734300a047ff8b80f77dfc0e37ae
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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