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

HRID 1215217Notes

Reaction equation

HRID 1215217 reaction equation
[C:45]([O-:46])(=[O:47])[CH3:48].[C:50]([O-:51])(=[O:52])[CH3:53].[CH2:32]([CH2:33][CH2:34][CH2:35][CH3:36])[CH:37]1[CH2:38][CH2:39][CH:40]([CH:43]=[CH2:44])[CH2:41][CH2:42]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].[OH2:54].[P:7]([O-:8])([O-:9])([O-:10])=[O:11].[Pd+2:49]>>[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:44]=[CH:43][CH:40]3[CH2:39][CH2:38][CH:37]([CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[CH2:42][CH2:41]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 190391931-Pentyl-4-vinyl-cyclohexaneHCID 584532034-(4-Bromophenyl)cyclohexane carboxylic acid methyl ester

Product 1

HCID 584532174-{4-[2-(4-Pentyl-cyclohexyl)-ethenyl]-phenyl}cyclohexane carboxylic acid methyl ester

Sources & evidence

ORD record
ord-b9f55250ec4c46148ddb021d50cb7b17
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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