Acetic Acid → 4-Oxo-1-phenylcyclohexanenitrile
Reaction equation
[CH3:1][O:2][C:3](=[O:4])[CH:5]1[C:6](=[O:19])[CH2:7][CH2:8][C:9]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)([C:17]#[N:18])[CH2:10]1.[CH3:25][C:26](=[O:27])[OH:28].[OH2:29].[S:20](=[O:21])(=[O:22])([OH:23])[OH:24]>>[CH2:5]1[C:6](=[O:19])[CH2:7][CH2:8][C:9]([c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)([C:17]#[N:18])[CH2:10]1Participants
5
Sources & evidence
- ORD record
- ord-635811e973eb49a386e502296559b648
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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