Acetone → 2-(2-Methylphenyl)-2-isopropyl-5-oxovaleronitrile
Reaction equation
[C:25]([OH:26])(=[O:27])[C:28]([OH:29])=[O:30].[C:31](=[O:32])([O-:33])[O-:34].[CH2:1]([O:3][CH:4]([O:2][CH2:20][CH3:21])[CH2:5][CH2:6][C:7]([C:8]#[N:9])([c:10]1[c:11]([CH3:16])[cH:12][cH:13][cH:14][cH:15]1)[CH:17]([CH3:18])[CH3:19])[CH3:22].[CH3:37][C:38](=[O:39])[CH3:40].[K+:35].[K+:36].[OH2:23].[OH2:24].[OH2:41]>>[O:3]=[CH:4][CH2:5][CH2:6][C:7]([C:8]#[N:9])([c:10]1[c:11]([CH3:16])[cH:12][cH:13][cH:14][cH:15]1)[CH:17]([CH3:18])[CH3:19]Participants
7
Sources & evidence
- ORD record
- ord-81288836c1864d78bd0131784d73c7d1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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