Pyridine → Methyl 2-[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoroprop-1-enyl)-1,2,4-triazol-1-yl]acetate

HRID 295005Notes

Reaction equation

HRID 295005 reaction equation
[CH3:41][N:42]([CH3:43])[c:44]1[cH:45][cH:46][n:47][cH:48][cH:49]1.[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:21][C:22](=[O:23])[O:24][CH3:25])[c:11](=[O:20])[n:12]2[CH2:13][CH:14]([C:15]([F:16])([F:17])[F:18])[OH:19])[cH:6][cH:7]1.[F:26][C:27]([S:28]([O:29][S:30]([C:31]([F:32])([F:33])[F:34])(=[O:35])=[O:36])(=[O:37])=[O:38])([F:39])[F:40].[cH:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:21][C:22](=[O:23])[O:24][CH3:25])[c:11](=[O:20])[n:12]2[CH:13]=[CH:14][C:15]([F:16])([F:17])[F:18])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 1049PyridineHCID 142844-(Dimethylamino)pyridineHCID 67749Trifluoromethanesulfonic anhydrideHCID 58011736Methyl {3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoro-2-hydroxypropyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetate

Product 1

HCID 72319495Methyl 2-[3-(4-chlorophenyl)-5-oxo-4-(3,3,3-trifluoroprop-1-enyl)-1,2,4-triazol-1-yl]acetate

Sources & evidence

ORD record
ord-8d6eff01c1fa4339a4e2c80d80b99338
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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