Water → 3,3-Dimethyl-5-oxohexanoic acid

HRID 102371

Reaction equation

HRID 102371 reaction equation
[O-:12][O+:13]=[O:14].[O:11].[O:1]=[C:2]1[CH:3]=[C:4]([CH3:10])[CH2:5][C:6]([CH3:7])([CH3:8])[CH2:9]1.[OH2:15]>>[O:1]=[C:2]([CH3:3])[CH2:9][C:6]([CH2:5][C:4]([OH:12])=[O:15])([CH3:7])[CH3:8]

Participants

4

Reactant 3

HCID 962Water2×HCID 6544IsophoroneHCID 24823Ozone

Product 1

HCID 113326103,3-Dimethyl-5-oxohexanoic acid

Sources & evidence

ORD record
ord-780cb81cfcb340d6bd1be056bb3dcbdc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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