Acetic Acid → 3,5-Dimethylchlorobenzene

HRID 2134790Notes

Reaction equation

HRID 2134790 reaction equation
[CH3:10][S:11](=[O:12])(=[O:13])[OH:14].[CH3:1][c:2]1[cH:3][c:4]([NH2:5])[cH:6][c:7]([CH3:9])[cH:8]1.[CH3:21][C:22](=[O:23])[OH:24].[Cl-:19].[ClH:25].[N:15]([O-:16])=[O:17].[NH3:20].[Na+:18]>>[CH3:1][c:2]1[cH:3][c:4]([Cl:19])[cH:6][c:7]([CH3:9])[cH:8]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 222AmmoniaHCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 946NitriteHCID 6395Methanesulfonic AcidHCID 79493,5-Dimethylaniline

Product 1

HCID 328873,5-Dimethylchlorobenzene

Sources & evidence

ORD record
ord-e845373b864b425cb7a224721b3f32cc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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