Acetic Acid → HCID 10443643, compound

Reaction equation

[C:1](=[O:2])([CH3:3])[NH:4][c:5]1[c:6]([C:7](=[O:8])[OH:9])[cH:10][c:11]([N+:17](=[O:18])[O-:19])[c:12]([N:14]([CH3:15])[CH3:16])[cH:13]1.[CH3:24][C:25](=[O:26])[OH:27].[ClH:20].[Na+:23].[OH-:22].[OH2:21]>>[NH2:4][c:5]1[c:6]([C:7](=[O:8])[OH:9])[cH:10][c:11]([N+:17](=[O:18])[O-:19])[c:12]([N:14]([CH3:15])[CH3:16])[cH:13]1

Participants

Reactant 6

HCID 176Acetic Acid

HCID 313Hydrochloric Acid

HCID 923Sodium Ion

HCID 961Hydroxide

HCID 962Water

HCID 10355604HCID 10355604, compound

Product 1

HCID 10443643HCID 10443643, compound

Sources & evidence

ORD record: ord-bbd9ba92deba434f8b32284f7b7f2576
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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