Acetic Acid → HCID 178526375, compound

HRID 199213Notes

Reaction equation

HRID 199213 reaction equation
[CH3:28][C:29](=[O:30])[OH:31].[Cl:5][c:6]1[c:7]([C:12]2=[N:13][CH2:14][C:15]([NH:26][CH3:27])=[N:16][c:17]3[c:18]2[cH:19][c:20]([N+:23](=[O:24])[O-:25])[cH:21][cH:22]3)[cH:8][cH:9][cH:10][cH:11]1.[N:1](=[O:2])[O-:3].[Na+:4]>>[N:1](=[O:2])[CH2:27][NH:26][C:15]1=[N:16][c:17]2[c:18]([cH:19][c:20]([N+:23](=[O:24])[O-:25])[cH:21][cH:22]2)[C:12]([c:7]2[c:6]([Cl:5])[cH:11][cH:10][cH:9][cH:8]2)=[N:13][CH2:14]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 923Sodium ionHCID 946NitriteHCID 178482324HCID 178482324, compound

Product 1

HCID 178526375HCID 178526375, compound

Sources & evidence

ORD record
ord-e6971c8e52d847ceb8d1ffc7d83b6288
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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