5-Methylsulfonyl-2-(2,2,2-trifluoro-1-methylethoxy)benzoic acid → (3-Hydroxyazetidin-1-yl)-[5-methylsulfonyl-2-(1,1,1-trifluoropropan-2-yloxy)phenyl]methanone

HRID 2122788Notes

Reaction equation

HRID 2122788 reaction equation
[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:14][CH:15]([C:16]([F:17])([F:18])[F:19])[CH3:20])[c:9]([C:10](=[O:11])[OH:12])[cH:13]1.[N:21]1=[CH:22][CH:23]([OH:25])[CH2:24]1>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([O:14][CH:15]([C:16]([F:17])([F:18])[F:19])[CH3:20])[c:9]([C:10](=[O:12])[N:21]2[CH2:22][CH:23]([OH:25])[CH2:24]2)[cH:13]1

Participants

3

Reactant 2

HCID 211003065-Methylsulfonyl-2-(2,2,2-trifluoro-1-methylethoxy)benzoic acidHCID 68505089Azetin-3-ol

Product 1

HCID 72388360(3-Hydroxyazetidin-1-yl)-[5-methylsulfonyl-2-(1,1,1-trifluoropropan-2-yloxy)phenyl]methanone

Sources & evidence

ORD record
ord-90e14ac22db24c0ba7ea09cf2cfab774
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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