Acetate → 2,6-Dimethyl-4-isopropylbenzaldehyde
Reaction equation
[CH3:19][C:20]([O-:21])=[O:22].[CH3:6][c:7]1[c:8]([NH2:9])[c:10]([CH3:17])[cH:11][c:12]([CH:14]([CH3:15])[CH3:16])[cH:13]1.[ClH:23].[ClH:33].[ClH:5].[Cu+2:39].[K+:18].[N:1]([O-:2])=[O:3].[NH2:24][OH:25].[Na+:30].[Na+:31].[Na+:4].[OH2:32].[S:26]([O-:27])([O-:28])=[O:29].[S:34]([O-:35])([O-:36])(=[O:37])=[O:38]>>[CH3:6][c:7]1[c:8]([CH:20]=[O:21])[c:10]([CH3:17])[cH:11][c:12]([CH:14]([CH3:15])[CH3:16])[cH:13]1Participants
12
Reactant 11
Product 1
Sources & evidence
- ORD record
- ord-32e3973108c84876a6dcf490d9ddb592
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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