Acetate → 3-{4-[4-(5-Fluoro-2,4-dimethylphenyl)piperazine-1-carbonyl]-3-methanesulfonylphenyl}oxazolidin-2-one

HRID 1219054Notes

Reaction equation

HRID 1219054 reaction equation
[CH3:34][B:35]([OH:36])[OH:37].[CH:38]1([P:39]([CH:40]2[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2-[c:52]2[c:53]([O:54][CH3:55])[cH:56][cH:57][cH:58][c:59]2[O:60][CH3:61])[CH2:62][CH2:63][CH2:64][CH2:65][CH2:66]1.[Cl:1][c:2]1[c:3]([N:10]2[CH2:11][CH2:12][N:13]([C:16](=[O:17])[c:18]3[c:19]([S:30](=[O:31])(=[O:32])[CH3:33])[cH:20][c:21]([N:24]4[C:25](=[O:29])[O:26][CH2:27][CH2:28]4)[cH:22][cH:23]3)[CH2:14][CH2:15]2)[cH:4][c:5]([F:9])[c:6]([CH3:8])[cH:7]1.[F-:67].[K+:68].[O-:70][C:71]([CH3:72])=[O:73].[O-:74][C:75]([CH3:76])=[O:77].[O:79]1[CH2:80][CH2:81][CH2:82][CH2:83]1.[OH2:78].[Pd+2:69]>>[c:2]1([CH3:34])[c:3]([N:10]2[CH2:11][CH2:12][N:13]([C:16](=[O:17])[c:18]3[c:19]([S:30](=[O:31])(=[O:32])[CH3:33])[cH:20][c:21]([N:24]4[C:25](=[O:29])[O:26][CH2:27][CH2:28]4)[cH:22][cH:23]3)[CH2:14][CH2:15]2)[cH:4][c:5]([F:9])[c:6]([CH3:8])[cH:7]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 813Potassium CationHCID 962WaterHCID 8028TetrahydrofuranHCID 28179Fluoride IonHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 139377Methylboronic AcidHCID 112698722-Dicyclohexylphosphino-2',6'-dimethoxybiphenylHCID 547550013-{4-[4-(2-Chloro-5-fluoro-4-methylphenyl)piperazine-1-carbonyl]-3-methanesulfonylphenyl}oxazolidin-2-one

Product 1

HCID 673807373-{4-[4-(5-Fluoro-2,4-dimethylphenyl)piperazine-1-carbonyl]-3-methanesulfonylphenyl}oxazolidin-2-one

Sources & evidence

ORD record
ord-552a018b639540bbadcc5feca071d503
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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