Hydrochloric Acid → 2-tert-Butyl-5-phenyl-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]isothiazol-3(2H)-one 1,1-dioxide

HRID 180153Notes

Reaction equation

HRID 180153 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:18])(=[O:19])[C:7]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[C:8]([Cl:11])[C:9]1=[O:10].[ClH:20].[ClH:21].[O:35]=[CH:36][N:37]([CH3:38])[CH3:39].[n:22]1[c:23]([N:28]2[CH2:29][CH2:30][CH:31]([NH2:34])[CH2:32][CH2:33]2)[cH:24][cH:25][cH:26][cH:27]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:18])(=[O:19])[C:7]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[C:8]([NH:34][CH:31]2[CH2:30][CH2:29][N:28]([c:23]3[n:22][cH:27][cH:26][cH:25][cH:24]3)[CH2:33][CH2:32]2)[C:9]1=[O:10]

Participants

5

Reactant 4

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 101979341-(Pyridin-2-yl)piperidin-4-amineHCID 672426272-tert-Butyl-4-chloro-5-phenylisothiazol-3(2H)-one 1,1-dioxide

Product 1

HCID 672410912-tert-Butyl-5-phenyl-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]isothiazol-3(2H)-one 1,1-dioxide

Sources & evidence

ORD record
ord-fdc6087335cb4c88bc282642ab8d8e17
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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