Acetone → 4-(2,6-Dimethylphenyl)-3-buten-2-one

HRID 213926

Reaction equation

HRID 213926 reaction equation
[CH3:11][C:12]([CH3:13])=[O:14].[CH3:1][c:2]1[c:3]([CH:4]=[O:5])[c:6]([CH3:10])[cH:7][cH:8][cH:9]1.[Ca+2:16].[OH-:15].[OH-:17].[OH2:18]>>[CH3:1][c:2]1[c:3]([CH:4]=[CH:11][C:12]([CH3:13])=[O:14])[c:6]([CH3:10])[cH:7][cH:8][cH:9]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 271Calcium CationHCID 961Hydroxide2×HCID 962WaterHCID 5838412,6-Dimethylbenzaldehyde

Product 1

HCID 542926874-(2,6-Dimethylphenyl)-3-buten-2-one

Sources & evidence

ORD record
ord-a08fd1b71d6342e0aa175c80863db6e2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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