Sodium ion → 4-[5-[[3-Fluoro-5-(3,4,5,6-tetrahydro-4-methoxypyran-4-yl)-phenoxy]-methyl]-3-phenylisoxazol-4-yl]benzenesulfonamide

HRID 936954Notes

Reaction equation

HRID 936954 reaction equation
[CH3:1][c:2]1[c:3](-[c:13]2[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[NH2:22])[cH:17][cH:18]2)[c:4](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[n:5][o:6]1.[Cl:28][C:29]([C:30]([Cl:31])([Cl:32])[Cl:33])([Cl:34])[Cl:35].[Cl:36][CH2:37][c:38]1[o:39][n:40][cH:41][cH:42]1.[F:43][c:44]1[cH:45][c:46]([OH:58])[cH:47][c:48]([C:50]2([O:56][CH3:57])[CH2:51][CH2:52][O:53][CH2:54][CH2:55]2)[cH:49]1.[Li:23][CH2:24][CH2:25][CH2:26][CH3:27].[Na+:71].[O:59]1[CH2:60][CH2:61][CH2:62][CH2:63]1.[O:64]1[CH2:65][CH2:66][O:67][CH2:68][CH2:69]1.[OH-:70].[OH2:72]>>[CH2:1]([c:2]1[c:3](-[c:13]2[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[NH2:22])[cH:17][cH:18]2)[c:4](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[n:5][o:6]1)[O:58][c:46]1[cH:45][c:44]([F:43])[cH:49][c:48]([C:50]2([O:56][CH3:57])[CH2:51][CH2:52][O:53][CH2:54][CH2:55]2)[cH:47]1

Participants

11

Reactant 10

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6214HexachloroethaneHCID 8028TetrahydrofuranHCID 312751,4-DioxaneHCID 119607ValdecoxibHCID 38580135-(Chloromethyl)isoxazoleHCID 117362763-Fluoro-5-(4-methoxytetrahydro-2H-pyran-4-yl)phenolHCID 178418339Butyllithium

Product 1

HCID 129861394-[5-[[3-Fluoro-5-(3,4,5,6-tetrahydro-4-methoxypyran-4-yl)-phenoxy]-methyl]-3-phenylisoxazol-4-yl]benzenesulfonamide

Sources & evidence

ORD record
ord-f4ae928488a44ee1a152dfc95ef46a81
Source dataset
Validation data from https://doi.org/10.1039/C8SC04228D

Reaction notes

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