Acetic Acid → N-(4-tert-butyl-2-hydroxybenzyl)-2-chloroacetamide

Reaction equation

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

Participants

Reactant 6

HCID 176Acetic Acid

HCID 769Bicarbonate Ion

HCID 923Sodium Ion

HCID 1118Sulfuric Acid

HCID 11450Phenol, 3-(1,1-dimethylethyl)-

HCID 62466N-Methylol-alpha-chloroacetamide

Product 1

HCID 66746309N-(4-tert-butyl-2-hydroxybenzyl)-2-chloroacetamide

Sources & evidence

ORD record: ord-f8e1d897d2744f39865221d0b18bf489
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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