Nitric Acid → Benzoic acid, 4-(1-methylethyl)-3-nitro- (9CI)

HRID 681883

Reaction equation

[OH2:17].[OH:13][N+:14]([O-:15])=[O:16].[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][c:7]([CH:8]([CH3:9])[CH3:10])[cH:11][cH:12]1.[S:18](=[O:19])(=[O:20])([OH:21])[OH:22]>>[OH:1][C:2](=[O:3])[c:4]1[cH:5][c:6]([N+:14](=[O:13])[O-:15])[c:7]([CH:8]([CH3:9])[CH3:10])[cH:11][cH:12]1

Participants

Reactant 4

HCID 944Nitric Acid

HCID 962Water

HCID 1118Sulfuric Acid

HCID 108204-Isopropylbenzoic Acid

Product 1

HCID 23423186Benzoic acid, 4-(1-methylethyl)-3-nitro- (9CI)

Sources & evidence

ORD record: ord-0e37c35c199c417dab67210829c4ed82
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Linked notes

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