Nitric Acid → 2-tert-butyl-4-nitrophenol

HRID 1211668Notes

Reaction equation

HRID 1211668 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:11])[cH:7][cH:8][cH:9][cH:10]1.[CH3:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22].[OH2:23].[OH:12][N+:13]([O-:14])=[O:15]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:11])[cH:7][cH:8][c:9]([N+:13](=[O:12])[O-:14])[cH:10]1

Participants

5

Reactant 4

HCID 944Nitric AcidHCID 962WaterHCID 69232-Tert-ButylphenolHCID 8900Heptane

Product 1

HCID 5289442-tert-butyl-4-nitrophenol

Sources & evidence

ORD record
ord-4410a38d517b480e9c2f3f63c0f9372d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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