Acetate → Heptylbenzene

HRID 213386Notes

Reaction equation

HRID 213386 reaction equation
[C:24]([OH:25])([CH2:26][CH3:27])([CH3:28])[CH3:29].[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[Br:8].[CH3:18][C:19]([CH3:20])([O-:21])[CH3:22].[K+:23].[O-:31][C:32]([CH3:33])=[O:34].[O-:35][C:36]([CH3:37])=[O:38].[OH:9][B:10]([OH:11])[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1.[Pd+2:30]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 813Potassium CationHCID 64052-Methyl-2-butanolHCID 123691-BromoheptaneHCID 66827Phenylboronic AcidHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 45749132-Methylpropan-2-olate

Product 1

HCID 14115Heptylbenzene

Sources & evidence

ORD record
ord-c258519798414676b7c99cbd6cf1b13f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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