Acetic Acid → HCID 86608383, compound

HRID 90429Notes

Reaction equation

HRID 90429 reaction equation
[CH3:25][CH2:26][O:27][C:28](=[O:29])[CH3:30].[CH3:31][C:32](=[O:33])[OH:34].[N:21]([O-:22])=[O:23].[NH:1]([NH2:2])[c:3]1[cH:4][c:5]([O:15][CH2:16][C:17]([CH3:18])([OH:19])[CH3:20])[n:6][c:7]([N:9]2[CH2:10][CH2:11][O:12][CH2:13][CH2:14]2)[n:8]1.[Na+:24].[OH2:35]>>[N:1](=[N+:2]=[N-:21])[c:3]1[cH:4][c:5]([O:15][CH2:16][C:17]([CH3:18])([OH:19])[CH3:20])[n:6][c:7]([N:9]2[CH2:10][CH2:11][O:12][CH2:13][CH2:14]2)[n:8]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 946NitriteHCID 962WaterHCID 8857Ethyl AcetateHCID 68514795HCID 68514795, compound

Product 1

HCID 86608383HCID 86608383, compound

Sources & evidence

ORD record
ord-41446d429d974f43afe6c516d0b6828d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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