Acetic Acid → Cgp13501

HRID 300791

Reaction equation

HRID 300791 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:18])[c:7]([C:14]([CH3:15])([CH3:16])[CH3:17])[cH:8][c:9]([CH2:11][O:12][CH3:13])[cH:10]1.[CH3:26][C:27](=[O:28])[OH:29].[CH3:30][OH:31].[CH:21]([CH:22]([CH3:23])[CH3:24])=[O:25].[K+:20].[OH-:19]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:18])[c:7]([C:14]([CH3:15])([CH3:16])[CH3:17])[cH:8][c:9]([CH2:11][C:22]([CH:21]=[O:25])([CH3:23])[CH3:24])[cH:10]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 813Potassium CationHCID 887MethanolHCID 961HydroxideHCID 6561IsobutyraldehydeHCID 69112,6-Di-tert-butyl-4-(methoxymethyl)phenol

Product 1

HCID 3519541Cgp13501

Sources & evidence

ORD record
ord-18a443e5b1cc4e1495f684c9bfe2f5e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Linked notes

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