Acetic Acid → HCID 227760, compound

Reaction equation

[C:20](=[O:21])([O-:22])[OH:23].[CH3:36][C:37](=[O:38])[OH:39].[N+:1]([O-:2])(=[O:3])[CH2:4][CH:5]([OH:6])[CH:7]([OH:8])[CH:9]([OH:10])[CH:11]([OH:12])[CH2:13][OH:14].[NH2:25][NH:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[Na+:24].[Na+:34].[OH-:33].[OH2:35].[S:15](=[O:16])(=[O:17])([OH:18])[OH:19]>>[N:1](=[CH:4][CH:5]([OH:6])[CH:7]([OH:8])[CH:9]([OH:10])[CH:11]([OH:12])[CH2:13][OH:14])[NH:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1

Participants

Reactant 8

HCID 176Acetic Acid

HCID 769Bicarbonate Ion

HCID 923Sodium Ion2×

HCID 961Hydroxide

HCID 962Water

HCID 1118Sulfuric Acid

HCID 7516Phenylhydrazine

HCID 856956-Nitrohexane-1,2,3,4,5-pentol

Product

Sources & evidence

ORD record: ord-d22dd018d8e84dac952958ed79248153
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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