Acetic Acid → Phenol, 2-(1-methylpropyl)-6-nitro

HRID 140501

Reaction equation

HRID 140501 reaction equation
[CH3:17][C:18](=[O:19])[OH:20].[CH:5]([CH3:6])([CH2:7][CH3:8])[c:9]1[c:10]([OH:15])[cH:11][cH:12][cH:13][cH:14]1.[OH2:16].[OH:1][N+:2]([O-:3])=[O:4]>>[O-:1][N+:2](=[O:4])[c:11]1[c:10]([OH:15])[c:9]([CH:5]([CH3:6])[CH2:7][CH3:8])[cH:14][cH:13][cH:12]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 944Nitric AcidHCID 962WaterHCID 69842-sec-Butylphenol

Product 1

HCID 528960Phenol, 2-(1-methylpropyl)-6-nitro

Sources & evidence

ORD record
ord-3b87f61d8fd34a7e863262747cca0dcc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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