Sodium ion → 5-(2-{4-[5-(4-Fluoro-phenyl)-4-(2,2,2-trifluoro-ethoxymethyl)-oxazol-2-yl]-piperazin-1-yl}-ethyl)-2-methoxy-benzenesulfonamide

HRID 148937Notes

Reaction equation

HRID 148937 reaction equation
[CH:43]([N:44]([CH:45]([CH3:46])[CH3:47])[CH2:48][CH3:49])([CH3:50])[CH3:51].[Cl:26][CH2:27][CH2:28][c:29]1[cH:30][cH:31][c:32]([O:39][CH3:40])[c:33]([S:35](=[O:36])(=[O:37])[NH2:38])[cH:34]1.[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH2:19][O:20][CH2:21][C:22]([F:23])([F:24])[F:25])[n:10][c:11]([N:13]3[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]3)[o:12]2)[cH:6][cH:7]1.[I-:42].[Na+:41].[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH2:19][O:20][CH2:21][C:22]([F:23])([F:24])[F:25])[n:10][c:11]([N:13]3[CH2:14][CH2:15][N:16]([CH2:27][CH2:28][c:29]4[cH:30][cH:31][c:32]([O:39][CH3:40])[c:33]([S:35](=[O:36])(=[O:37])[NH2:38])[cH:34]4)[CH2:17][CH2:18]3)[o:12]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 923Sodium ionHCID 30165Iodide IonHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 187004001-[5-(4-Fluoro-Phenyl)-4-(2,2,2-Trifluoro-Ethoxymethyl)-Oxazol-2-yl]-PiperazineHCID 187004435-(2-Chloroethyl)-2-methoxy-benzenesulfonamide

Product 1

HCID 187003995-(2-{4-[5-(4-Fluoro-phenyl)-4-(2,2,2-trifluoro-ethoxymethyl)-oxazol-2-yl]-piperazin-1-yl}-ethyl)-2-methoxy-benzenesulfonamide

Sources & evidence

ORD record
ord-3b45eb94abf341df93670fcae08d2d79
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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