Sodium Ion → 5-tert-Butyl4-dimethylthiocarbamoyloxy-2-methyl-benzoic acid methyl ester

Reaction equation

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

Participants

Reactant 6

HCID 923Sodium Ion

HCID 962Water

HCID 6228Dimethylformamide

HCID 27871Dimethylthiocarbamoyl chloride

HCID 166653Hydride

HCID 10632819Methyl 5-(tert-butyl)-4-hydroxy-2-methylbenzoate

Product 1

HCID 538656495-tert-Butyl4-dimethylthiocarbamoyloxy-2-methyl-benzoic acid methyl ester

Sources & evidence

ORD record: ord-8ee41a176db74d899ba86ca483a81457
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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