Acetate → 1-(4-Chlorophenyl)-3,3-dimethylbutan-2-one

HRID 684987Notes

Reaction equation

HRID 684987 reaction equation
[Br:7][c:8]1[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]1.[C:31]([O-:32])(=[O:33])[CH3:34].[C:36]([O-:37])(=[O:38])[CH3:39].[CH3:15][C:16]([C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21].[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[Cl-:22].[NH4+:23].[Na+:6].[Pd+2:35]>>[c:8]1([CH2:15][C:16]([C:17]([CH3:18])([CH3:19])[CH3:20])=[O:21])[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium ionHCID 1140TolueneHCID 6416PinacoloneHCID 7806p-BromochlorobenzeneHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45749132-Methylpropan-2-olate

Product 1

HCID 101045691-(4-Chlorophenyl)-3,3-dimethylbutan-2-one

Sources & evidence

ORD record
ord-43a3d2837f494deaa9a95367eec27b11
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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