Potassium Cation → 3-{4-[4-(2-Chloro-5-fluoro-4-methylphenyl)piperazine-1-carbonyl]-3-methanesulfonylphenyl}oxazolidin-2-one

HRID 2324922Notes

Reaction equation

HRID 2324922 reaction equation
[Br:1][c:2]1[cH:3][c:4]([S:25](=[O:26])(=[O:27])[CH3:28])[c:5]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][N:13]([c:16]3[c:17]([Cl:24])[cH:18][c:19]([CH3:23])[c:20]([F:22])[cH:21]3)[CH2:14][CH2:15]2)[cH:6][cH:7]1.[C:35](=[O:36])([O-:37])[O-:38].[CH3:41][NH:42][CH2:43][CH2:44][NH:45][CH3:46].[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[Cu:47][I:48].[K+:39].[K+:40].[O:29]1[C:30](=[O:34])[NH:31][CH2:32][CH2:33]1.[OH2:49]>>[c:2]1([N:31]2[C:30](=[O:34])[O:29][CH2:33][CH2:32]2)[cH:3][c:4]([S:25](=[O:26])(=[O:27])[CH3:28])[c:5]([C:8](=[O:9])[N:10]2[CH2:11][CH2:12][N:13]([c:16]3[c:17]([Cl:24])[cH:18][c:19]([CH3:23])[c:20]([F:22])[cH:21]3)[CH2:14][CH2:15]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 962WaterHCID 1140TolueneHCID 8070N,N'-DimethylethylenediamineHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 739492-OxazolidinoneHCID 67380757(4-Bromo-2-methanesulfonylphenyl)[4-(2-chloro-5-fluoro-4-methylphenyl)piperazin-1-yl]methanone

Product 1

HCID 547550013-{4-[4-(2-Chloro-5-fluoro-4-methylphenyl)piperazine-1-carbonyl]-3-methanesulfonylphenyl}oxazolidin-2-one

Sources & evidence

ORD record
ord-18a5ff78702d421c847f1199f441a891
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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