Acetate → 4-{4-[2-(4-Propyl-cyclohexyl)-ethenyl]-phenyl}cyclohexane carboxylic acid methyl ester

HRID 296136Notes

Reaction equation

HRID 296136 reaction equation
[C:43]([O-:44])(=[O:45])[CH3:46].[C:48]([O-:49])(=[O:50])[CH3:51].[CH2:32]([CH2:33][CH3:34])[CH:35]1[CH2:36][CH2:37][CH:38]([CH:41]=[CH2:42])[CH2:39][CH2:40]1.[CH3:15][O:16][C:17](=[O:18])[CH:19]1[CH2:20][CH2:21][CH:22]([c:25]2[cH:26][cH:27][c:28]([Br:31])[cH:29][cH:30]2)[CH2:23][CH2:24]1.[CH3:1][N:2]([CH3:3])[C:4](=[O:5])[CH3:6].[K+:12].[K+:13].[K+:14].[OH2:52].[P:7]([O-:8])([O-:9])([O-:10])=[O:11].[Pd+2:47]>>[CH3:15][O:16][C:17](=[O:18])[CH:19]1[CH2:20][CH2:21][CH:22]([c:25]2[cH:26][cH:27][c:28]([CH:42]=[CH:41][CH:38]3[CH2:37][CH2:36][CH:35]([CH2:32][CH2:33][CH3:34])[CH2:40][CH2:39]3)[cH:29][cH:30]2)[CH2:23][CH2:24]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 31374DimethylacetamideHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 534183861-Ethenyl-4-propylcyclohexaneHCID 584532034-(4-Bromophenyl)cyclohexane carboxylic acid methyl ester

Product 1

HCID 584532244-{4-[2-(4-Propyl-cyclohexyl)-ethenyl]-phenyl}cyclohexane carboxylic acid methyl ester

Sources & evidence

ORD record
ord-d9ab72ba9a424fa9bd5d7c31f9db9456
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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