Nitromethane → P-Toluic Acid

HRID 671457Notes

Reaction equation

HRID 671457 reaction equation
[CH3:20][S:21]([OH:22])(=[O:23])=[O:24].[N+:25]([CH3:26])([O-:27])=[O:28].[c:1]1([CH3:19])[cH:2][cH:3][c:4]([C:7](=[O:8])[O:9][C:10]([c:11]2[cH:12][cH:13][c:14]([CH3:15])[cH:16][cH:17]2)=[O:18])[cH:5][cH:6]1>>[c:1]1([CH3:19])[cH:2][cH:3][c:4]([C:7](=[O:8])[OH:9])[cH:5][cH:6]1

Participants

4

Reactant 3

HCID 6375NitromethaneHCID 6395Methanesulfonic AcidHCID 1394134-Methylbenzoic acid anhydride

Product 1

HCID 7470P-Toluic Acid

Sources & evidence

ORD record
ord-00360fdf6ae24db882328ab1e6153d12
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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