Acetate → Balazipone

HRID 306623Notes

Reaction equation

HRID 306623 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH:6]=[O:7])[cH:8][cH:9][cH:10]1.[CH3:11][C:12]([CH2:13][C:14]([CH3:15])=[O:16])=[O:17].[CH3:19][C:20](=[O:21])[O-:22].[CH3:23][CH:24]([OH:25])[CH3:26].[NH4+:18]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH:6]=[C:13]([C:12]([CH3:11])=[O:17])[C:14]([CH3:15])=[O:16])[cH:8][cH:9][cH:10]1

Participants

6

Reactant 5

HCID 175AcetateHCID 223AmmoniumHCID 3776IsopropanolHCID 31261AcetylacetoneHCID 90670m-Formylbenzonitrile

Product 1

HCID 179347Balazipone

Sources & evidence

ORD record
ord-9ce4ff1a750d4991923f9ad2eda82d56
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

Loading…