Benzene → 4-Methanesulfonyl-2-methoxyphenol

HRID 198328

Reaction equation

HRID 198328 reaction equation
[Br:1][c:2]1[cH:3][c:4]([O:9][CH3:10])[c:5]([OH:8])[cH:6][cH:7]1.[CH3:11][S:12](=[O:13])[O-:14].[CH3:16][NH:17][CH2:18][CH2:19][NH:20][CH3:21].[CH3:22][CH2:23][O:24][C:25](=[O:26])[CH3:27].[CH3:28][S:29](=[O:30])[CH3:31].[Cu+:46].[F:38][C:39]([F:40])([F:41])[S:42]([O-:43])(=[O:44])=[O:45].[Na+:15].[OH2:47].[cH:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1>>[c:2]1([S:12]([CH3:11])(=[O:13])=[O:14])[cH:3][c:4]([O:9][CH3:10])[c:5]([OH:8])[cH:6][cH:7]1

Participants

11

Reactant 10

HCID 241BenzeneHCID 679Dimethyl SulfoxideHCID 923Sodium ionHCID 962WaterHCID 8070N,N'-DimethylethylenediamineHCID 8857Ethyl AcetateHCID 104815Copper(1+)HCID 2622344-Bromo-2-methoxyphenolHCID 2758875TrifluoromethanesulfonateHCID 3870744Methanesulfinate

Product 1

HCID 597782834-Methanesulfonyl-2-methoxyphenol

Sources & evidence

ORD record
ord-d68c6fd835194f6db0eedb0fc5e8dc23
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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