Benzene → 3-(2-pyrrolidinopropyl)-4-(3-methoxyphenyl)-1,5,6,7-tetrahydro-2H-azepinone
Reaction equation
[CH2:1]([C:2](=[O:3])[CH3:4])[C:5]1=[C:11]([c:12]2[cH:13][c:14]([O:18][CH3:19])[cH:15][cH:16][cH:17]2)[CH2:10][CH2:9][CH2:8][NH:7][C:6]1=[O:20].[CH2:21]1[CH2:22][CH2:23][NH:24][CH2:25]1.[OH2:26].[OH2:38].[c:27]1([CH3:28])[cH:29][cH:30][c:31]([S:32]([OH:33])(=[O:34])=[O:35])[cH:36][cH:37]1.[cH:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1>>[CH2:1]([CH:2]([CH3:4])[N:24]1[CH2:23][CH2:22][CH2:21][CH2:25]1)[C:5]1=[C:11]([c:12]2[cH:13][c:14]([O:18][CH3:19])[cH:15][cH:16][cH:17]2)[CH2:10][CH2:9][CH2:8][NH:7][C:6]1=[O:20]Participants
6
Sources & evidence
- ORD record
- ord-58905b6fed8e4decb1021a8ceb43ccc2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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