Adipic Acid → Beta-Isophorone

HRID 676847Notes

Reaction equation

HRID 676847 reaction equation
[CH3:1][C:2]1=[CH:3][C:4](=[O:10])[CH2:5][C:6]([CH3:8])([CH3:9])[CH2:7]1.[OH:11][C:12]([CH2:13][CH2:14][CH2:15][CH2:16][C:17](=[O:18])[OH:19])=[O:20]>>[CH3:1][C:2]1=[CH:7][C:6]([CH3:8])([CH3:9])[CH2:5][C:4](=[O:10])[CH2:3]1

Participants

3

Reactant 2

HCID 196Adipic AcidHCID 6544Isophorone

Product 1

HCID 10108Beta-Isophorone

Sources & evidence

ORD record
ord-11a05a6503684eb7a4324365bf6a939f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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