Acetic Acid → Phenol, 5-(1,1-dimethylethyl)-2-nitro-

HRID 287219Notes

Reaction equation

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

Participants

Reactant 4

HCID 176Acetic Acid

HCID 944Nitric Acid

HCID 962Water

HCID 11450Phenol, 3-(1,1-dimethylethyl)-

Product 1

HCID 11958960Phenol, 5-(1,1-dimethylethyl)-2-nitro-

Sources & evidence

ORD record: ord-54016e4531bc43de9c59e7b1d311dff8
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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