Acetone → 4-(3,3-Dimethyl-butyryl)-benzaldehyde

HRID 680330Notes

Reaction equation

HRID 680330 reaction equation
[CH2:1]([O:3][CH:4]([O:2][CH2:18][CH3:19])[c:5]1[cH:6][cH:7][c:8]([C:11]([CH2:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17])[cH:9][cH:10]1)[CH3:20].[CH3:33][C:34](=[O:35])[CH3:36].[OH2:21].[c:22]1([CH3:23])[cH:24][cH:25][c:26]([S:27]([OH:28])(=[O:29])=[O:30])[cH:31][cH:32]1>>[O:3]=[CH:4][c:5]1[cH:6][cH:7][c:8]([C:11]([CH2:12][C:13]([CH3:14])([CH3:15])[CH3:16])=[O:17])[cH:9][cH:10]1

Participants

5

Reactant 4

HCID 180AcetoneHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 576563621-[4-(Diethoxymethyl)-phenyl]-3,3-dimethylbutan-1-one

Product 1

HCID 576561564-(3,3-Dimethyl-butyryl)-benzaldehyde

Sources & evidence

ORD record
ord-7c734cfbd9724942b89a7e6e2b1bde7b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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