Water → 3-{4-[(2-Isopropyl-1,1-dioxido-3-oxo-5-phenyl-2,3-dihydroisothiazol-4-yl)amino]piperidin-1-yl}propanenitrile

HRID 1542454Notes

Reaction equation

HRID 1542454 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].[NH2:19][CH:20]1[CH2:21][CH2:22][N:23]([CH2:26][CH2:27][C:28]#[N:29])[CH2:24][CH2:25]1.[O:31]=[CH:32][N:33]([CH3:34])[CH3:35].[OH2:30]>>[C:2]1([NH:19][CH:20]2[CH2:21][CH2:22][N:23]([CH2:26][CH2:27][C:28]#[N:29])[CH2:24][CH2:25]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

5

Reactant 4

HCID 962WaterHCID 6228DimethylformamideHCID 22562162N-(2-cyanoethyl)-4-aminopiperidineHCID 672431604-Chloro-2-isopropyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide

Product 1

HCID 115894583-{4-[(2-Isopropyl-1,1-dioxido-3-oxo-5-phenyl-2,3-dihydroisothiazol-4-yl)amino]piperidin-1-yl}propanenitrile

Sources & evidence

ORD record
ord-f115bfa344bd47ac83b71fda2e050aaf
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…