Hydrochloric Acid → 3,5-Di-tert-butyl-4-hydroxybenzoic acid

Reaction equation

[CH3:1][C:2]([N:3]([C:4]([OH:5])=[O:6])[NH:24][C:7]([c:8]1[cH:9][c:10]([C:19]([CH3:20])([CH3:21])[CH3:22])[c:11]([OH:18])[c:12]([C:14]([CH3:15])([CH3:16])[CH3:17])[cH:13]1)=[O:23])([CH3:25])[CH3:26].[ClH:27].[Na+:29].[O:30]1[CH2:31][CH2:32][CH2:33][CH2:34]1.[OH-:28].[OH2:35]>>[C:7]([c:8]1[cH:9][c:10]([C:19]([CH3:20])([CH3:21])[CH3:22])[c:11]([OH:18])[c:12]([C:14]([CH3:15])([CH3:16])[CH3:17])[cH:13]1)(=[O:23])[OH:28]

Participants

Reactant 6

HCID 313Hydrochloric Acid

HCID 923Sodium Ion

HCID 961Hydroxide

HCID 962Water

HCID 8028Tetrahydrofuran

HCID 189498191,1-Dimethylethyl 2-[3,5-bis(1,1-dimethylethyl)-4-hydroxybenzoyl]hydrazine carboxylic acid

Product 1

HCID 150073,5-Di-tert-butyl-4-hydroxybenzoic acid

Sources & evidence

ORD record: ord-270abe2db4ce42ad985b2f1296aa14a3
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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