Acetic Acid → HCID 19037059, compound

HRID 1536382Notes

Reaction equation

HRID 1536382 reaction equation
[CH3:21][C:22]([OH:23])=[O:24].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:20]1)[C:9]([C:18]#[N:19])=[CH:10][C:11]1([O:12]2)[CH2:13][CH2:14][S:15][CH2:16][CH2:17]1.[OH2:30].[S:25](=[O:26])(=[O:27])([OH:28])[OH:29]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:20]1)[C:21]([C:22]([OH:23])=[O:24])=[CH:10][C:11]1([O:12]2)[CH2:13][CH2:14][S:15][CH2:16][CH2:17]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 1118Sulfuric AcidHCID 19037054HCID 19037054, compound

Product 1

HCID 19037059HCID 19037059, compound

Sources & evidence

ORD record
ord-afec7fdaa8f8466ab26fafc7dc726728
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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