Nitric Acid → 1,2-Dimethyl-3-nitrobenzene

HRID 99603Notes

Reaction equation

HRID 99603 reaction equation
[CH3:21][c:22]1[cH:23][cH:24][cH:25][cH:26][c:27]1[CH3:28].[OH2:16].[OH:17][N+:18]([O-:19])=[O:20].[c:1]1([CH3:2])[c:3]([S:4]([OH:5])(=[O:6])=[O:7])[cH:8][c:9]([S:10]([OH:11])(=[O:12])=[O:13])[cH:14][cH:15]1>>[O-:17][N+:18](=[O:20])[c:23]1[c:22]([CH3:21])[c:27]([CH3:28])[cH:26][cH:25][cH:24]1

Participants

5

Reactant 4

HCID 944Nitric AcidHCID 962WaterHCID 7237O-XyleneHCID 671294-Methyl-1,3-benzenedisulfonic acid

Product 1

HCID 67391,2-Dimethyl-3-nitrobenzene

Sources & evidence

ORD record
ord-fca535346bcc42288ed16640c42a0b10
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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