Acetic Acid → ST51001883

HRID 137897Notes

Reaction equation

HRID 137897 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[C:5]1=[CH:10][C:9]([C:11]([CH3:12])([CH3:13])[CH3:14])=[CH:8][C:7](=[O:15])[C:6]1=[O:16].[CH3:22][C:23](=[O:24])[OH:25].[OH2:21].[OH:17][N+:18]([O-:19])=[O:20]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[C:5]1=[CH:10][C:9]([C:11]([CH3:12])([CH3:13])[CH3:14])=[C:8]([N+:18](=[O:17])[O-:19])[C:7](=[O:15])[C:6]1=[O:16]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 944Nitric AcidHCID 962WaterHCID 769153,5-Di-tert-butyl-1,2-benzoquinone

Product 1

HCID 534779ST51001883

Sources & evidence

ORD record
ord-587326d50d744f3fb7b779f8988ef949
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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