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

HRID 1208618Notes

Reaction equation

HRID 1208618 reaction equation
[C:44](=[O:45])([O-:46])[O-:47].[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]([CH:28]([CH3:29])[CH3:30])[C:16]2=[O:31])(=[O:8])=[O:9])[cH:10][cH:11]1.[CH3:32][S:33](=[O:34])(=[O:35])[O:36][c:37]1[c:38]([OH:43])[cH:39][cH:40][cH:41][cH:42]1.[CH3:50][C:51]#[N:52].[K+:48].[K+:49]>>[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]([CH:28]([CH3:29])[CH3:30])[C:16]1=[O:31])[O:43][c:38]1[c:37]([O:36][S:33]([CH3:32])(=[O:34])=[O:35])[cH:42][cH:41][cH:40][cH:39]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 132483392-Hydroxyphenyl methanesulfonateHCID 866258832-[(2-Isopropyl-1,1-dioxido-3-oxo-5-phenyl-2,3-dihydroisothiazol-4-yl)amino]ethyl 4-methylbenzenesulfonate

Product 1

HCID 866258822-{2-[(2-Isopropyl-1,1-dioxido-3-oxo-5-phenyl-2,3-dihydroisothiazol-4-yl)amino]ethoxy}phenyl methanesulfonate

Sources & evidence

ORD record
ord-41baead384fb441b9c8ec1213caf1e02
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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