Acetic Acid → 3-Cyanomethyl-1-nitro-2,4,6-trimethylbenzene

HRID 944296Notes

Reaction equation

HRID 944296 reaction equation
[CH3:1][c:2]1[c:3]([CH2:10][C:11]#[N:12])[c:4]([CH3:9])[cH:5][c:6]([CH3:8])[cH:7]1.[CH3:22][C:23](=[O:24])[OH:25].[OH:13][N+:14]([O-:15])=[O:16].[S:17](=[O:18])(=[O:19])([OH:20])[OH:21]>>[CH3:1][c:2]1[c:3]([CH2:10][C:11]#[N:12])[c:4]([CH3:9])[c:5]([N+:14](=[O:13])[O-:15])[c:6]([CH3:8])[cH:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 944Nitric AcidHCID 1118Sulfuric AcidHCID 5206982,4,6-Trimethylphenylacetonitrile

Product 1

HCID 106796973-Cyanomethyl-1-nitro-2,4,6-trimethylbenzene

Sources & evidence

ORD record
ord-912f5e5417f4459795eacee0a262f8d3
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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