2-Fluoro-4-methylsulfonylphenol → 5-Ethyl-2-(4-(4-((2-fluoro-4-(methylsulfonyl)phenoxy)methyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)piperidin-1-yl)pyrimidine

HRID 99569Notes

Reaction equation

HRID 99569 reaction equation
[CH3:1][S:2](=[O:3])(=[O:4])[O:5][CH2:6][c:7]1[c:8]([C:26]([F:27])([F:28])[F:29])[n:9][n:10]([CH:12]2[CH2:13][CH2:14][N:15]([c:18]3[n:19][cH:20][c:21]([CH2:24][CH3:25])[cH:22][n:23]3)[CH2:16][CH2:17]2)[cH:11]1.[F:30][c:31]1[c:32]([OH:41])[cH:33][cH:34][c:35]([S:37](=[O:38])(=[O:39])[CH3:40])[cH:36]1>>[O:5]([CH2:6][c:7]1[c:8]([C:26]([F:27])([F:28])[F:29])[n:9][n:10]([CH:12]2[CH2:13][CH2:14][N:15]([c:18]3[n:19][cH:20][c:21]([CH2:24][CH3:25])[cH:22][n:23]3)[CH2:16][CH2:17]2)[cH:11]1)[c:32]1[c:31]([F:30])[cH:36][c:35]([S:37](=[O:38])(=[O:39])[CH3:40])[cH:34][cH:33]1

Participants

3

Reactant 2

HCID 161288422-Fluoro-4-methylsulfonylphenolHCID 57708363(1-(1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl)-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl methanesulfonate

Product 1

HCID 251750855-Ethyl-2-(4-(4-((2-fluoro-4-(methylsulfonyl)phenoxy)methyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)piperidin-1-yl)pyrimidine

Sources & evidence

ORD record
ord-51d6cc61d97c49b5ad5853123b17817f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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