Acetate → HCID 178468327, compound

HRID 160962Notes

Reaction equation

HRID 160962 reaction equation
[CH3:14][C:15](=[O:16])[O-:17].[CH3:18][C:19](=[O:20])[CH2:21][C:22]([CH3:23])=[O:24].[CH3:1][c:2]1[cH:3][c:4]([NH2:5])[cH:6][cH:7][cH:8]1.[CH3:25][C:26](=[O:27])[OH:28].[CH3:31][CH2:32][OH:33].[ClH:29].[N:9]([O-:10])=[O:11].[Na+:12].[Na+:13].[OH2:30]>>[CH3:1][c:2]1[cH:3][c:4]([NH:5][N:9]=[C:21]([C:19]([CH3:18])=[O:20])[C:22]([CH3:23])=[O:24])[cH:6][cH:7][cH:8]1

Participants

10

Reactant 9

HCID 175AcetateHCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ion2×HCID 946NitriteHCID 962WaterHCID 7934m-ToluidineHCID 31261Acetylacetone

Product 1

HCID 178468327HCID 178468327, compound

Sources & evidence

ORD record
ord-e839e1383f914d32b24f05fa3e349a60
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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