Acetic Acid → HCID 178472895, compound

HRID 160067

Reaction equation

HRID 160067 reaction equation
[CH3:19][C:20](=[O:21])[OH:22].[N:15](=[O:16])[O-:17].[Na+:18].[OH2:23].[c:1]1([C:7](=[O:8])[CH2:9][C:10](=[O:11])[O:12][CH2:13][CH3:14])[cH:2][cH:3][cH:4][cH:5][n:6]1>>[c:1]1([C:7](=[O:8])[C:9]([C:10](=[O:11])[O:12][CH2:13][CH3:14])=[N:15][OH:16])[cH:2][cH:3][cH:4][cH:5][n:6]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 946NitriteHCID 962WaterHCID 2736461Ethyl 3-oxo-3-(pyridin-2-yl)propanoate

Product 1

HCID 178472895HCID 178472895, compound

Sources & evidence

ORD record
ord-e543bddbae0f42478d0a1c479458154d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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