Sodium ion → 5-Methyl-4-[[4-thiophen-2-ylsulfonyl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]piperazin-2-yl]methyl]morpholin-3-one

HRID 2135255Notes

Reaction equation

HRID 2135255 reaction equation
[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[F:1][C:2]([C:3]([CH3:4])([OH:5])[c:6]1[cH:7][cH:8][c:9]([N:12]2[CH:13]([CH2:26][N:27]3[CH:28]([CH3:33])[CH2:29][O:30][CH2:31][CH2:32]3)[CH2:14][N:15]([S:18](=[O:19])(=[O:20])[c:21]3[s:22][cH:23][cH:24][cH:25]3)[CH2:16][CH2:17]2)[cH:10][cH:11]1)([F:34])[F:35].[I+3:36]([O-:37])([O-:38])([O-:39])[O-:40].[Na+:41].[O:50]=[Ru:51]=[O:52].[OH2:48].[OH2:49]>>[F:1][C:2]([C:3]([CH3:4])([OH:5])[c:6]1[cH:7][cH:8][c:9]([N:12]2[CH:13]([CH2:26][N:27]3[CH:28]([CH3:33])[CH2:29][O:30][CH2:31][C:32]3=[O:37])[CH2:14][N:15]([S:18](=[O:19])(=[O:20])[c:21]3[s:22][cH:23][cH:24][cH:25]3)[CH2:16][CH2:17]2)[cH:10][cH:11]1)([F:34])[F:35]

Participants

7

Reactant 6

HCID 923Sodium ionHCID 962Water2×HCID 8857Ethyl AcetateHCID 82848Ruthenium dioxideHCID 167232PeriodateHCID 706556751,1,1-Trifluoro-2-[4-[2-[(3-methylmorpholin-4-yl)methyl]-4-thiophen-2-ylsulfonylpiperazin-1-yl]phenyl]propan-2-ol

Product 1

HCID 665840635-Methyl-4-[[4-thiophen-2-ylsulfonyl-1-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]piperazin-2-yl]methyl]morpholin-3-one

Sources & evidence

ORD record
ord-b380e51616704c9e8bed3382390c644f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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