Sodium ion → 5-(2-{4-[5-(4-Fluoro-phenyl)-4-hydroxymethyl-oxazol-2-yl]-piperidin-1-yl}-ethyl)-2-hydroxy-benzenesulfonamide

HRID 668292Notes

Reaction equation

HRID 668292 reaction equation
[CH:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH2:42][CH3:43])([CH3:44])[CH3:45].[Cl:21][CH2:22][CH2:23][c:24]1[cH:25][cH:26][c:27]([OH:34])[c:28]([S:30](=[O:31])(=[O:32])[NH2:33])[cH:29]1.[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH2:19][OH:20])[n:10][c:11]([CH:13]3[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]3)[o:12]2)[cH:6][cH:7]1.[I-:36].[Na+:35].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([CH2:19][OH:20])[n:10][c:11]([CH:13]3[CH2:14][CH2:15][N:16]([CH2:22][CH2:23][c:24]4[cH:25][cH:26][c:27]([OH:34])[c:28]([S:30](=[O:31])(=[O:32])[NH2:33])[cH:29]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 187004285-(2-Chloroethyl)-2-hydroxy-benzenesulfonamideHCID 18700441[5-(4-Fluoro-Phenyl)-2-Piperidin-4-yl-Oxazol-4-yl]Methanol

Product 1

HCID 187004715-(2-{4-[5-(4-Fluoro-phenyl)-4-hydroxymethyl-oxazol-2-yl]-piperidin-1-yl}-ethyl)-2-hydroxy-benzenesulfonamide

Sources & evidence

ORD record
ord-1691dc7f5edb467b83b6a0c3f3c92472
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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