Bicarbonate Ion → 1-[3-(3-Chlorophenyl)prop-2-enoyl]-4-(2,2-diethoxyethyl)-1,4-diazepan-5-one
Reaction equation
[Br:22][CH2:23][CH:24]([O:25][CH2:26][CH3:27])[O:28][CH2:29][CH3:30].[Cl:1][c:2]1[cH:3][c:4]([CH:8]=[CH:9][C:10](=[O:11])[N:12]2[CH2:13][CH2:14][NH:15][C:16](=[O:19])[CH2:17][CH2:18]2)[cH:5][cH:6][cH:7]1.[H-:21].[Na+:20].[Na+:35].[O-:31][C:32]([OH:33])=[O:34]>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]=[CH:9][C:10](=[O:11])[N:12]2[CH2:13][CH2:14][N:15]([CH2:23][CH:24]([O:25][CH2:26][CH3:27])[O:28][CH2:29][CH3:30])[C:16](=[O:19])[CH2:17][CH2:18]2)[cH:5][cH:6][cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-8bcb96fe5a8c4cde8328c77025bc6767
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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