Acetate → 2-(4-chlorophenyl)-5,5-dimethyl-1-Cyclohexene-1-carboxaldehyde

HRID 194331Notes

Reaction equation

HRID 194331 reaction equation
[Br-:28].[C:22](=[O:23])([O-:24])[O-:25].[CH2:29]([N+:30]([CH2:31][CH2:32][CH2:33][CH3:34])([CH2:35][CH2:36][CH2:37][CH3:38])[CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH3:45].[Cl:12][c:13]1[cH:14][cH:15][c:16]([B:19]([OH:20])[OH:21])[cH:17][cH:18]1.[Cl:1][C:2]1=[C:3]([CH:10]=[O:11])[CH2:4][C:5]([CH3:8])([CH3:9])[CH2:6][CH2:7]1.[K+:26].[K+:27].[O-:47][C:48]([CH3:49])=[O:50].[O-:51][C:52]([CH3:53])=[O:54].[Pd+2:46]>>[C:2]1([c:16]2[cH:15][cH:14][c:13]([Cl:12])[cH:18][cH:17]2)=[C:3]([CH:10]=[O:11])[CH2:4][C:5]([CH3:8])([CH3:9])[CH2:6][CH2:7]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 259Bromide ionHCID 813Potassium Cation2×HCID 16028TetrabutylammoniumHCID 19660Carbonate IonHCID 742994-Chlorophenylboronic acidHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 137424062-Chloro-5,5-dimethyl-1-cyclohexenecarbaldehyde

Product 1

HCID 445943302-(4-chlorophenyl)-5,5-dimethyl-1-Cyclohexene-1-carboxaldehyde

Sources & evidence

ORD record
ord-41bc9560958442a5aaefc32dc09a7e03
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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