Ethanol → 2,3,4,5,11,15b-hexahydro-2,8-dimethyl-1H-dibenz[3,4:6,7]azepino[1,2-a](1,4)diazepine
Reaction equation
[CH2:23]([OH:24])[CH3:25].[CH3:1][N:2]1[CH2:3][CH:4]2[N:5]([c:6]3[c:7]([cH:15][cH:16][c:17]([CH3:19])[cH:18]3)[O:8][c:9]3[c:10]2[cH:11][cH:12][cH:13][cH:14]3)[CH2:20][CH2:21][CH2:22]1.[c:26]1([CH3:27])[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[CH3:1][N:2]1[CH2:3][CH:4]2[N:5]([c:6]3[c:7]([cH:15][cH:16][c:17]([CH3:19])[cH:18]3)[CH2:23][c:9]3[c:10]2[cH:11][cH:12][cH:13][cH:14]3)[CH2:20][CH2:21][CH2:22]1Participants
4
Sources & evidence
- ORD record
- ord-925c48f9d2574f169d7b09aea48da32d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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