Ethanol → 4,5,6,7-tetrahydro-2[2-(4-pyridyl)ethyl]-1H-1,3-diazepine
Reaction equation
[C:1](#[N:2])[CH2:3][CH2:4][c:5]1[cH:6][cH:7][n:8][cH:9][cH:10]1.[CH3:45][CH2:46][O-:47].[CH3:49][CH2:50][OH:51].[NH2:11][CH2:12][CH2:13][CH2:14][CH2:15][NH2:16].[NH2:39][CH2:40][CH2:41][CH2:42][CH2:43][NH2:44].[Na+:48].[c:17]1([CH3:18])[cH:19][cH:20][c:21]([S:22]([OH:23])(=[O:24])=[O:25])[cH:26][cH:27]1.[c:28]1([CH3:29])[cH:30][cH:31][c:32]([S:33]([OH:34])(=[O:35])=[O:36])[cH:37][cH:38]1>>[C:1]1([CH2:3][CH2:4][c:5]2[cH:6][cH:7][n:8][cH:9][cH:10]2)=[N:2][CH2:15][CH2:14][CH2:13][CH2:12][NH:11]1Participants
7
Sources & evidence
- ORD record
- ord-e602203a040e4e3e8102f42e576bc70d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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