Potassium Cation → 2-{2-[(2-tert-Butyl-1,1-dioxido-3-oxo-5-phenyl-2,3-dihydroisothiazol-4-yl)amino]ethoxy}phenyl methanesulfonate

HRID 160108Notes

Reaction equation

HRID 160108 reaction equation
[C:45](=[O:46])([O-:47])[O-:48].[CH3:1][c:2]1[cH:3][cH:4][c:5]([S:6]([O:7][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])(=[O:8])=[O:9])[cH:10][cH:11]1.[CH3:33][S:34](=[O:35])(=[O:36])[O:37][c:38]1[c:39]([OH:44])[cH:40][cH:41][cH:42][cH:43]1.[CH3:51][C:52]#[N:53].[K+:49].[K+:50]>>[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])[O:44][c:39]1[c:38]([O:37][S:34]([CH3:33])(=[O:35])=[O:36])[cH:43][cH:42][cH:41][cH:40]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 132483392-Hydroxyphenyl methanesulfonateHCID 866258662-[(2-tert-Butyl-1,1-dioxido-3-oxo-5-phenyl-2,3-dihydroisothiazol-4-yl)amino]ethyl 4-methylbenzenesulfonate

Product 1

HCID 116129362-{2-[(2-tert-Butyl-1,1-dioxido-3-oxo-5-phenyl-2,3-dihydroisothiazol-4-yl)amino]ethoxy}phenyl methanesulfonate

Sources & evidence

ORD record
ord-16aee8c17af14372a3d44226460724ff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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