Nitric Acid → 3-Nitro-4-propylbenzoic acid

HRID 188305

Reaction equation

HRID 188305 reaction equation
[CH2:1]([CH2:2][CH3:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[OH:10])[cH:11][cH:12]1.[OH:13][N+:14]([O-:15])=[O:16].[S:17](=[O:18])(=[O:19])([OH:20])[OH:21]>>[CH2:1]([CH2:2][CH3:3])[c:4]1[c:5]([N+:14](=[O:13])[O-:15])[cH:6][c:7]([C:8](=[O:9])[OH:10])[cH:11][cH:12]1

Participants

4

Reactant 3

HCID 944Nitric AcidHCID 1118Sulfuric AcidHCID 1376014-Propylbenzoic acid

Product 1

HCID 155216373-Nitro-4-propylbenzoic acid

Sources & evidence

ORD record
ord-9892a2ab7fef4b8d80cc4ecec67d9e01
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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