Acetic Acid → HCID 19780556, compound

HRID 1147828Notes

Reaction equation

HRID 1147828 reaction equation
[C:1]([OH:2])(=[O:3])[CH3:4].[C:5]([OH:6])(=[O:7])[CH3:8].[CH3:19][C:20]([CH2:21][C:22]([CH3:23])=[O:24])=[O:25].[N+:9](=[O:10])([O-:11])[c:12]1[cH:13][cH:14][c:15]([CH:17]=[O:18])[s:16]1>>[N+:9](=[O:10])([O-:11])[c:12]1[cH:13][cH:14][c:15]([CH:17]=[C:21]([C:20]([CH3:19])=[O:25])[C:22]([CH3:23])=[O:24])[s:16]1

Participants

4

Reactant 3

HCID 176Acetic Acid2×HCID 31261AcetylacetoneHCID 782815-Nitrothiophene-2-carboxaldehyde

Product 1

HCID 19780556HCID 19780556, compound

Sources & evidence

ORD record
ord-27e10ae88b4b41139a13a3cf7a209f11
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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