Acetic Acid → HCID 12422797, compound

HRID 1226476Notes

Reaction equation

HRID 1226476 reaction equation
[CH3:29][C:30](=[O:31])[OH:32].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([S:10][c:11]2[cH:12][c:13]([C:22]([CH3:23])([CH3:24])[CH3:25])[c:14]([OH:21])[c:15]([C:16](=[O:17])[OH:18])[c:19]2[CH3:20])[cH:8][cH:9]1.[OH2:28].[OH:26][OH:27]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([S:10]([c:11]2[cH:12][c:13]([C:22]([CH3:23])([CH3:24])[CH3:25])[c:14]([OH:21])[c:15]([C:16](=[O:17])[OH:18])[c:19]2[CH3:20])=[O:26])[cH:8][cH:9]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 784Hydrogen PeroxideHCID 962WaterHCID 12422831HCID 12422831, compound

Product 1

HCID 12422797HCID 12422797, compound

Sources & evidence

ORD record
ord-887e89d493b74cb285e9ccc785775266
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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