Acetate → HCID 178468309, compound

HRID 2163091Notes

Reaction equation

HRID 2163091 reaction equation
[CH3:28][C:29](=[O:30])[O-:31].[CH3:32][C:33](=[O:34])[CH2:35][C:36]([CH3:37])=[O:38].[CH3:40][CH2:41][OH:42].[K+:27].[N:23]([O-:24])=[O:25].[Na+:26].[OH2:39].[OH:19][N+:20](=[O:21])[O-:22].[P:14](=[O:15])([OH:16])([OH:17])[OH:18].[c:1]1(-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[c:2]([NH2:7])[cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[c:2]([NH:7][N:23]=[C:35]([C:33]([CH3:32])=[O:34])[C:36]([CH3:37])=[O:38])[cH:3][cH:4][cH:5][cH:6]1

Participants

11

Reactant 10

HCID 175AcetateHCID 702EthanolHCID 813Potassium CationHCID 923Sodium ionHCID 944Nitric AcidHCID 946NitriteHCID 962WaterHCID 1004Phosphoric AcidHCID 70152-AminobiphenylHCID 31261Acetylacetone

Product 1

HCID 178468309HCID 178468309, compound

Sources & evidence

ORD record
ord-bb56fb611c24433780aa01050e5352c8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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