Acetic Acid → 2-[(2,5-Dimethylphenyl)methylsulfonyl]-4-methylpyridine 1-oxide

Reaction equation

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

Participants

Reactant 6

HCID 176Acetic Acid

HCID 784Hydrogen Peroxide

HCID 962Water

HCID 24465Tungstate

HCID 5360545Sodium

HCID 131787432-{[(2,5-Dimethylphenyl)methyl]sulfanyl}-4-methyl-1-oxo-1lambda~5~-pyridine

Product 1

HCID 131787442-[(2,5-Dimethylphenyl)methylsulfonyl]-4-methylpyridine 1-oxide

Sources & evidence

ORD record: ord-37a388c29bf14663bea5451e7b576092
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…