2,2,2-Trifluoroethyl trifluoromethanesulfonate → 2-(2,2,2-trifluoro-ethyl)-5-(4-trifluoromethoxy-phenyl)-2H-pyrazole-3-carboxylic acid ethyl ester

HRID 1554312Notes

Reaction equation

HRID 1554312 reaction equation
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][nH:8][c:9](-[c:11]2[cH:12][cH:13][c:14]([O:17][C:18]([F:19])([F:20])[F:21])[cH:15][cH:16]2)[cH:10]1.[F:22][C:23]([CH2:24][O:25][S:26]([C:27]([F:28])([F:29])[F:30])(=[O:31])=[O:32])([F:33])[F:34]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7]([CH2:24][C:23]([F:22])([F:33])[F:34])[n:8][c:9](-[c:11]2[cH:12][cH:13][c:14]([O:17][C:18]([F:19])([F:20])[F:21])[cH:15][cH:16]2)[cH:10]1

Participants

3

Reactant 2

HCID 803662,2,2-Trifluoroethyl trifluoromethanesulfonateHCID 178468641HCID 178468641, compound

Product 1

HCID 866006282-(2,2,2-trifluoro-ethyl)-5-(4-trifluoromethoxy-phenyl)-2H-pyrazole-3-carboxylic acid ethyl ester

Sources & evidence

ORD record
ord-55b7a97c6b4a46cabd2a72f196430532
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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