Acetate → 2,8,12-Trimethyl-5,7,11-tridecatrien-4-one

HRID 123095

Reaction equation

HRID 123095 reaction equation
[C:21]([O-:22])(=[O:23])[CH3:24].[C:26]([O-:27])(=[O:28])[CH3:29].[CH2:12]([CH:13]([CH3:14])[CH3:15])[C:16](=[O:17])[CH3:18].[CH3:1][C:2]([CH3:3])=[CH:4][CH2:5][CH2:6][C:7]([CH3:8])=[CH:9][CH:10]=[O:11].[OH2:19].[OH2:20].[Zn+2:25]>>[CH3:1][C:2]([CH3:3])=[CH:4][CH2:5][CH2:6][C:7]([CH3:8])=[CH:9][CH:10]=[CH:18][C:16]([CH2:12][CH:13]([CH3:14])[CH3:15])=[O:17]

Participants

6

Reactant 5

HCID 175Acetate2×HCID 962Water2×HCID 7909Methyl Isobutyl KetoneHCID 88433,7-Dimethylocta-2,6-DienalHCID 32051Zinc(2+)

Product 1

HCID 543290252,8,12-Trimethyl-5,7,11-tridecatrien-4-one

Sources & evidence

ORD record
ord-95d12a6488474bc6999225b5053a0ef3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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