Potassium Cation → tert-Butyl 3-({2-[(2-tert-butyl-1,1-dioxido-3-oxo-5-phenyl-2,3-dihydroisothiazol-4-yl)amino]ethyl}thio)pyrrolidine-1-carboxylate

HRID 287356Notes

Reaction equation

HRID 287356 reaction equation
[C:46](=[O:47])([O-:48])[O-:49].[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.[CH3:52][C:53]#[N:54].[K+:50].[K+:51].[SH:33][CH:34]1[CH2:35][N:36]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:37][CH2:38]1>>[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])[S:33][CH:34]1[CH2:35][N:36]([C:39](=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[CH2:37][CH2:38]1

Participants

6

Reactant 5

HCID 813Potassium Cation2×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 13324658tert-Butyl 3-sulfanylpyrrolidine-1-carboxylateHCID 866258662-[(2-tert-Butyl-1,1-dioxido-3-oxo-5-phenyl-2,3-dihydroisothiazol-4-yl)amino]ethyl 4-methylbenzenesulfonate

Product 1

HCID 11691969tert-Butyl 3-({2-[(2-tert-butyl-1,1-dioxido-3-oxo-5-phenyl-2,3-dihydroisothiazol-4-yl)amino]ethyl}thio)pyrrolidine-1-carboxylate

Sources & evidence

ORD record
ord-a2b2f5568bd042a9801a967ddb13c8c5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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