N,N-Dimethylaniline → 3-Chloro-6-(methylsulfonyl)-2,4-dinitrotoluene

HRID 686128Notes

Reaction equation

HRID 686128 reaction equation
[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[c:6]([CH3:18])[c:7]([N+:15](=[O:16])[O-:17])[c:8]([OH:14])[c:9]([N+:11](=[O:12])[O-:13])[cH:10]1.[CH3:25][N:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[CH3:33].[OH2:19].[P:20]([Cl:21])([Cl:22])([Cl:23])=[O:24]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[c:6]([CH3:18])[c:7]([N+:15](=[O:16])[O-:17])[c:8]([Cl:22])[c:9]([N+:11](=[O:12])[O-:13])[cH:10]1

Participants

5

Reactant 4

HCID 949N,N-DimethylanilineHCID 962WaterHCID 24813Phosphorus oxychlorideHCID 233359754-(Methylsulfonyl)-2,6-dinitro-m-cresol

Product 1

HCID 233359733-Chloro-6-(methylsulfonyl)-2,4-dinitrotoluene

Sources & evidence

ORD record
ord-cdebfa2ae5624c70bd3dbc72866968eb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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