Acetone → 2-(4-Chloro-phenyl)-5H-thiazolo[5,4-c]pyridin-4-one

HRID 2328846Notes

Reaction equation

HRID 2328846 reaction equation
[CH3:35][C:36](=[O:37])[CH3:38].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[s:9][c:10]3[c:11](=[O:28])[n:12]([CH2:17][c:18]4[cH:19][cH:20][c:21]([O:22][CH3:23])[cH:24][c:25]4[O:26][CH3:27])[cH:13][cH:14][c:15]3[n:16]2)[cH:6][cH:7]1.[Na+:34].[O-:30][C:31]([OH:32])=[O:33].[OH2:29].[OH:39][C:40]([C:41]([F:42])([F:43])[F:44])=[O:45]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[s:9][c:10]3[c:11](=[O:28])[nH:12][cH:13][cH:14][c:15]3[n:16]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6422Trifluoroacetic acidHCID 67461620HCID 67461620, compound

Product 1

HCID 674620832-(4-Chloro-phenyl)-5H-thiazolo[5,4-c]pyridin-4-one

Sources & evidence

ORD record
ord-4abb57b94fc84ec78718c54c367a28b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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