Potassium Cation → 2-tert-Butyl-5-phenyl-4-{[2-(pyridin-3-yloxy)ethyl]amino}isothiazol-3(2H)-one 1,1-dioxide

HRID 178052Notes

Reaction equation

HRID 178052 reaction equation
[C:40](=[O:41])([O-:42])[O-:43].[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6](=[O:7])(=[O:8])[O:11][CH2:12][CH2:13][NH:14][C:15]2=[C:19]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[S:18](=[O:26])(=[O:27])[N:17]([C:28]([CH3:29])([CH3:30])[CH3:31])[C:16]2=[O:32])[cH:9][cH:10]1.[CH3:46][C:47]#[N:48].[K+:44].[K+:45].[n:33]1[cH:34][c:35]([OH:39])[cH:36][cH:37][cH:38]1>>[O:11]([CH2:12][CH2:13][NH:14][C:15]1=[C:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[S:18](=[O:26])(=[O:27])[N:17]([C:28]([CH3:29])([CH3:30])[CH3:31])[C:16]1=[O:32])[c:35]1[cH:34][n:33][cH:38][cH:37][cH:36]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 79713-HydroxypyridineHCID 19660Carbonate IonHCID 866258662-[(2-tert-Butyl-1,1-dioxido-3-oxo-5-phenyl-2,3-dihydroisothiazol-4-yl)amino]ethyl 4-methylbenzenesulfonate

Product 1

HCID 672436732-tert-Butyl-5-phenyl-4-{[2-(pyridin-3-yloxy)ethyl]amino}isothiazol-3(2H)-one 1,1-dioxide

Sources & evidence

ORD record
ord-e71908ea209740bd96f37fff2e254010
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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