Ethanol → 1-Azabicyclo(2.2.2)octane-3-carbonitrile
Reaction equation
[CH2:23]([CH2:24][O:25][CH3:26])[O:27][CH3:28].[CH3:29][C:30]([CH3:31])([O-:32])[CH3:33].[CH3:35][CH2:36][OH:37].[K+:34].[N:1]12[CH2:2][C:3](=[O:9])[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2.[S:10]([c:12]1[cH:13][cH:14][c:15]([CH3:16])[cH:17][cH:18]1)(=[O:19])([CH2:20][N+:21]#[C-:11])=[O:22]>>[N:1]12[CH2:2][CH:3]([C:20]#[N:21])[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2Participants
7
Sources & evidence
- ORD record
- ord-afb29fd5ff0543a89d0e6117068731bd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
Loading…