Potassium Cation → 1-(1-benzenesulfonyl-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-cyclobutyl-1-(4-methylsulfonyl-phenyl)-ethanol

HRID 1211658Notes

Reaction equation

HRID 1211658 reaction equation
[CH3:42][OH:43].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[K+:41].[Mn:36](=[O:37])([O-:38])(=[O:39])=[O:40].[OH2:44].[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[c:11]([C:20]([CH2:21][CH:22]3[CH2:23][CH2:24][CH2:25]3)([OH:26])[c:27]3[cH:28][cH:29][c:30]([S:33](=[O:34])[CH3:35])[cH:31][cH:32]3)[cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([F:19])[cH:18]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[c:11]([C:20]([CH2:21][CH:22]3[CH2:23][CH2:24][CH2:25]3)([OH:26])[c:27]3[cH:28][cH:29][c:30]([S:33](=[O:34])([CH3:35])=[O:37])[cH:31][cH:32]3)[cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([F:19])[cH:18]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

7

Reactant 6

HCID 813Potassium CationHCID 887MethanolHCID 962WaterHCID 8857Ethyl AcetateHCID 24401PermanganateHCID 672290761-(1-benzenesulfonyl-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-cyclobutyl-1-(4-methylsulfinyl-phenyl)-ethanol

Product 1

HCID 672280401-(1-benzenesulfonyl-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-cyclobutyl-1-(4-methylsulfonyl-phenyl)-ethanol

Sources & evidence

ORD record
ord-52522302dfeb45ce8ff8763d3400edfc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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