Acetate → 1-(2,4-Dihydroxy-5-isobutyl-phenyl)-ethanone

Reaction equation

[C:13]([CH3:14])(=[O:15])[OH:16].[C:17]([O-:18])(=[O:19])[CH3:20].[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[c:6]([OH:12])[cH:7][c:8]([OH:11])[cH:9][cH:10]1.[Na+:21]>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[c:6]([OH:12])[cH:7][c:8]([OH:11])[c:9]([C:13]([CH3:14])=[O:15])[cH:10]1

Participants

Reactant 4

HCID 175Acetate

HCID 176Acetic Acid

HCID 923Sodium Ion

HCID 139510854-Isobutylresorcinol

Product 1

HCID 592647801-(2,4-Dihydroxy-5-isobutyl-phenyl)-ethanone

Sources & evidence

ORD record: ord-1e2ed99d89954ac0aa343e4444f01702
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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