Hydrochloric Acid → 2-Isopropyl-5-phenyl-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]isothiazol-3(2H)-one 1,1-dioxide
Reaction equation
[Cl:1][C:2]1=[C:6]([c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[S:5](=[O:13])(=[O:14])[N:4]([CH:15]([CH3:16])[CH3:17])[C:3]1=[O:18].[ClH:19].[ClH:20].[n:21]1[c:22]([N:27]2[CH2:28][CH2:29][CH:30]([NH2:33])[CH2:31][CH2:32]2)[cH:23][cH:24][cH:25][cH:26]1>>[C:2]1([NH:33][CH:30]2[CH2:29][CH2:28][N:27]([c:22]3[n:21][cH:26][cH:25][cH:24][cH:23]3)[CH2:32][CH2:31]2)=[C:6]([c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[S:5](=[O:13])(=[O:14])[N:4]([CH:15]([CH3:16])[CH3:17])[C:3]1=[O:18]Participants
4
Sources & evidence
- ORD record
- ord-596d5716b4d94712975f7d0d36fcf7b2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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