Acetic Acid → 4-Oxo-1-(tetrahydro-2H-pyran-4-yl)cyclohexanecarbonitrile
Reaction equation
[C:19](=[O:20])([OH:21])[O-:22].[CH3:24][C:25](=[O:26])[OH:27].[Na+:23].[O:1]1[CH2:2][CH2:3][CH:4]([C:7]2([C:17]#[N:18])[CH2:8][CH2:9][C:10]3([O:11][CH2:14][CH2:13][O:12]3)[CH2:15][CH2:16]2)[CH2:5][CH2:6]1.[OH2:28]>>[O:1]1[CH2:2][CH2:3][CH:4]([C:7]2([C:17]#[N:18])[CH2:8][CH2:9][C:10](=[O:11])[CH2:15][CH2:16]2)[CH2:5][CH2:6]1Participants
6
Sources & evidence
- ORD record
- ord-16b36ee8591a4afa9cb51ba15227d51b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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