Dimethyl Sulfoxide → 2-[(6-Aminopyridin-3-yl)methyl]-4-{[4-(difluoromethoxy)phenyl]amino}-5-phenylisothiazol-3(2H)-one 1,1-dioxide

HRID 806002Notes

Reaction equation

[CH3:52][S:53]([CH3:54])=[O:55].[F:1][CH:2]([O:3][c:4]1[cH:5][cH:6][c:7]([NH:10][C:11]2=[C:15]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[S:14](=[O:22])(=[O:23])[N:13]([CH2:24][c:25]3[cH:26][cH:27][c:28]([NH:31][C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[n:29][cH:30]3)[C:12]2=[O:39])[cH:8][cH:9]1)[F:40].[F:41][CH:42]([F:43])[O:44][c:45]1[cH:46][cH:47][c:48]([NH2:49])[cH:50][cH:51]1>>[F:1][CH:2]([O:3][c:4]1[cH:5][cH:6][c:7]([NH:10][C:11]2=[C:15]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[S:14](=[O:22])(=[O:23])[N:13]([CH2:24][c:25]3[cH:26][cH:27][c:28]([NH2:31])[n:29][cH:30]3)[C:12]2=[O:39])[cH:8][cH:9]1)[F:40]

Participants

Reactant 3

HCID 679Dimethyl Sulfoxide

HCID 7373634-(Difluoromethoxy)aniline

HCID 86623729tert-Butyl (5-{[4-{[4-(difluoromethoxy)phenyl]amino}-1,1-dioxido-3-oxo-5-phenylisothiazol-2(3H)-yl]methyl}pyridin-2-yl)carbamate

Product 1

HCID 115111802-[(6-Aminopyridin-3-yl)methyl]-4-{[4-(difluoromethoxy)phenyl]amino}-5-phenylisothiazol-3(2H)-one 1,1-dioxide

Sources & evidence

ORD record: ord-479f60bd73b641a7b158b5a532e9f54e
Source dataset: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

Reaction notes

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