Acetic Acid → 4-Hexyl-2-nitrophenol

HRID 2139505Notes

Reaction equation

HRID 2139505 reaction equation
[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[c:7]1[cH:8][cH:9][c:10]([OH:13])[cH:11][cH:12]1.[CH3:25][C:26](=[O:27])[OH:28].[OH2:18].[OH:14][N+:15]([O-:16])=[O:17].[cH:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH3:6])[c:7]1[cH:8][cH:9][c:10]([OH:13])[c:11]([N+:15](=[O:14])[O-:16])[cH:12]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 241BenzeneHCID 944Nitric AcidHCID 962WaterHCID 171324-n-Hexylphenol

Product 1

HCID 190211464-Hexyl-2-nitrophenol

Sources & evidence

ORD record
ord-f220660fc5954e15805e1571ba287a84
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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