Dimethylformamide → 1-[3-(3,4-Dichlorophenyl)prop-2-enoyl]-1,4-diazepan-5-one
Reaction equation
[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[Cl:14][C:15]([C:16]([Cl:17])=[O:18])=[O:19].[Cl:1][c:2]1[cH:3][c:4]([CH:5]=[CH:6][C:7](=[O:8])[OH:9])[cH:10][cH:11][c:12]1[Cl:13].[Cl:35][CH2:36][Cl:37].[NH:20]1[CH2:21][CH2:22][NH:23][C:24](=[O:27])[CH2:25][CH2:26]1.[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[Cl:1][c:2]1[cH:3][c:4]([CH:5]=[CH:6][C:7](=[O:9])[N:20]2[CH2:21][CH2:22][NH:23][C:24](=[O:27])[CH2:25][CH2:26]2)[cH:10][cH:11][c:12]1[Cl:13]Participants
7
Sources & evidence
- ORD record
- ord-9d570e4a69f54100ad19a8bc32b31c52
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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