Ethanol → 3-[2-(N-isopropyl-N-methylamino)-propyl]-4-(4-methoxyphenyl)-1,5,6,7-tetrahydro-2H-azepinone
Reaction equation
[C:26](=[O:27])([O-:28])[O-:29].[CH3:24][I:25].[CH3:32][CH2:33][OH:34].[CH:1]([CH3:2])([CH3:3])[NH:4][CH:5]([CH2:6][C:7]1=[C:13]([c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)[CH2:12][CH2:11][CH2:10][NH:9][C:8]1=[O:22])[CH3:23].[K+:30].[K+:31]>>[CH:1]([CH3:2])([CH3:3])[N:4]([CH:5]([CH2:6][C:7]1=[C:13]([c:14]2[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]2)[CH2:12][CH2:11][CH2:10][NH:9][C:8]1=[O:22])[CH3:23])[CH3:26]Participants
6
Sources & evidence
- ORD record
- ord-59c6b9dd280c45bf8d7b83367d4e1a68
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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