2-Chlorophenol → 2-tert-Butyl-4-{[3-(2-chlorophenoxy)propyl]amino}-5-phenylisothiazol-3(2H)-one 1,1-dioxide

HRID 142883Notes

Reaction equation

HRID 142883 reaction equation
[CH3:9][c:10]1[cH:11][cH:12][c:13]([S:14]([O:15][CH2:20][CH2:21][CH2:22][NH:23][C:24]2=[C:28]([c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[S:27](=[O:35])(=[O:36])[N:26]([C:37]([CH3:38])([CH3:39])[CH3:40])[C:25]2=[O:41])(=[O:16])=[O:17])[cH:18][cH:19]1.[OH:1][c:2]1[cH:3][cH:4][cH:5][cH:6][c:7]1[Cl:8]>>[O:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][c:7]1[Cl:8])[CH2:20][CH2:21][CH2:22][NH:23][C:24]1=[C:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[S:27](=[O:35])(=[O:36])[N:26]([C:37]([CH3:38])([CH3:39])[CH3:40])[C:25]1=[O:41]

Participants

3

Reactant 2

HCID 72452-ChlorophenolHCID 866258673-[(2-Tert-butyl-1,1-dioxido-3-oxo-5-phenyl-2,3-dihydroisothiazol-4-yl)amino]propyl 4-methylbenzenesulfonate

Product 1

HCID 115904652-tert-Butyl-4-{[3-(2-chlorophenoxy)propyl]amino}-5-phenylisothiazol-3(2H)-one 1,1-dioxide

Sources & evidence

ORD record
ord-2d9e1861b61f48b7860f8e859f53fa51
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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