Hydrogen Cyanide → 3-Cyano-3,5,5-trimethylcyclohexanone
Reaction equation
[CH3:11][n+:12]1[cH:13][c:14]([C:15]([O-:16])=[O:17])[n:18]([CH3:19])[cH:20]1.[CH:21]#[N:22].[O:1]=[C:2]1[CH:3]=[C:4]([CH3:10])[CH2:5][C:6]([CH3:7])([CH3:8])[CH2:9]1>>[O:1]=[C:2]1[CH2:3][C:4]([CH3:10])([C:21]#[N:22])[CH2:5][C:6]([CH3:7])([CH3:8])[CH2:9]1Participants
4
Sources & evidence
- ORD record
- ord-d861723ee1d041a5998d356d4abf038a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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