Acetone → HCID 9818249, compound

HRID 1220291Notes

Reaction equation

HRID 1220291 reaction equation
[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:9]1[CH:10]([C:20]#[N:21])[CH:11]=[CH:12][c:13]2[cH:14][c:15]([Cl:19])[cH:16][cH:17][c:18]21.[C:22]([O-:23])(=[O:24])[OH:25].[CH3:31][C:32](=[O:33])[CH3:34].[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[Na+:26].[Na+:28].[OH-:27].[OH:29][OH:30]>>[C:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)(=[O:8])[N:9]1[CH:10]([C:20]([NH2:21])=[O:23])[CH:11]=[CH:12][c:13]2[cH:14][c:15]([Cl:19])[cH:16][cH:17][c:18]21

Participants

8

Reactant 7

HCID 180AcetoneHCID 769Bicarbonate IonHCID 784Hydrogen PeroxideHCID 923Sodium ion2×HCID 961HydroxideHCID 8857Ethyl AcetateHCID 133367791-Benzoyl-6-chloro-1,2-dihydroquinoline-2-carbonitrile

Product 1

HCID 9818249HCID 9818249, compound

Sources & evidence

ORD record
ord-43598780ec8640858cfd27ade2dcb18d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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