Acetone → 2-Cyano-3-methylbutanoic acid
Reaction equation
[C:1]([CH:2]([CH:3]([CH3:4])[CH3:5])[C:6]([NH:7][C:8]([NH2:9])=[O:10])=[O:11])#[N:12].[C:20](#[N:21])[CH:22]([C:23](=[O:24])[O:25][CH3:26])[CH:27]([CH3:28])[CH3:29].[CH3:13][O:14][C:15]([CH2:16][C:17]#[N:18])=[O:19].[CH3:37][C:38](=[O:39])[CH3:40].[Na+:31].[OH-:30].[S:32](=[O:33])(=[O:34])([OH:35])[OH:36]>>[C:20](#[N:21])[CH:22]([C:23](=[O:24])[OH:25])[CH:27]([CH3:28])[CH3:29]Participants
8
Sources & evidence
- ORD record
- ord-97e04c627905406b9dffd1f2ce604fb8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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