Ethanol → 1-Azabicyclo(2.2.2)octane-3-carbonitrile
Reaction equation
[CH2:7]([CH2:8][O:9][CH3:10])[O:11][CH3:12].[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:36][CH2:37][OH:38].[K+:6].[N:13]12[CH2:14][C:15](=[O:21])[CH:16]([CH2:17][CH2:18]1)[CH2:19][CH2:20]2.[S:22]([c:25]1[cH:26][cH:27][c:28]([CH3:29])[cH:30][cH:31]1)([CH2:32][N:33]=[C:23]=[O:24])(=[O:34])=[O:35]>>[N:13]12[CH2:14][CH:15]([C:32]#[N:33])[CH:16]([CH2:17][CH2:18]1)[CH2:19][CH2:20]2Participants
7
Sources & evidence
- ORD record
- ord-cb13ac269cbe47b1b49c72622d2c3b2a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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