Acetate → 2-Methyl-7-(2,3-dimethylphenyl)-1-indanone

Reaction equation

[C:30]([O-:31])(=[O:32])[CH3:33].[C:35]([O-:36])(=[O:37])[CH3:38].[CH3:13][c:14]1[c:15]([B:21]([OH:22])[OH:23])[cH:16][cH:17][cH:18][c:19]1[CH3:20].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:10]1[C:9](=[O:11])[CH:8]([CH3:12])[CH2:7]2.[Na+:24].[Na+:25].[O-:26][C:27](=[O:28])[O-:29].[OH2:39].[Pd+2:34]>>[c:2]1(-[c:15]2[c:14]([CH3:13])[c:19]([CH3:20])[cH:18][cH:17][cH:16]2)[cH:3][cH:4][cH:5][c:6]2[c:10]1[C:9](=[O:11])[CH:8]([CH3:12])[CH2:7]2

Participants

Reactant 7

HCID 175Acetate2×

HCID 923Sodium Ion2×

HCID 962Water

HCID 19660Carbonate Ion

HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)

HCID 27733952,3-Dimethylphenylboronic acid

HCID 117898227-Chloro-2-methyl-2,3-dihydro-1H-inden-1-one

Product

Sources & evidence

ORD record: ord-4fd21966b16148528f833ba7add22c9d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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