Nitric Acid → 2,3-Dimethyl-5-nitrobenzoic acid

HRID 159380

Reaction equation

HRID 159380 reaction equation
[CH3:10][c:11]1[c:12]([C:13](=[O:14])[OH:15])[cH:16][cH:17][cH:18][c:19]1[CH3:20].[OH2:21].[OH:1][N+:2]([O-:3])=[O:4].[S:5](=[O:6])(=[O:7])([OH:8])[OH:9]>>[O-:1][N+:2](=[O:4])[c:17]1[cH:16][c:12]([C:13](=[O:14])[OH:15])[c:11]([CH3:10])[c:19]([CH3:20])[cH:18]1

Participants

5

Reactant 4

HCID 944Nitric AcidHCID 962WaterHCID 1118Sulfuric AcidHCID 117822,3-Dimethylbenzoic acid

Product 1

HCID 137581312,3-Dimethyl-5-nitrobenzoic acid

Sources & evidence

ORD record
ord-f38752f7b4384c6381142507d2436c7c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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