Acetic Acid → 2-Nitro-4-propylphenol

HRID 2311967Notes

Reaction equation

HRID 2311967 reaction equation
[CH2:1]([CH2:2][CH3:3])[c:4]1[cH:5][cH:6][c:7]([OH:10])[cH:8][cH:9]1.[CH3:11][C:12](=[O:13])[OH:14].[OH2:19].[OH:15][N+:16]([O-:17])=[O:18]>>[CH2:1]([CH2:2][CH3:3])[c:4]1[cH:5][c:6]([N+:16](=[O:15])[O-:17])[c:7]([OH:10])[cH:8][cH:9]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 944Nitric AcidHCID 962WaterHCID 125804-Propylphenol

Product 1

HCID 2405532-Nitro-4-propylphenol

Sources & evidence

ORD record
ord-c694be11cfbd4769b7494381ccfefe44
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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