Acetonitrile → 4-[(4,4-Difluorocyclohexyl)amino]-2-isopropyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide

HRID 93138

Reaction equation

HRID 93138 reaction equation
[CH3:28][C:29]#[N:30].[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].[F:19][C:20]1([F:27])[CH2:21][CH2:22][CH:23]([NH2:26])[CH2:24][CH2:25]1>>[C:2]1([NH:26][CH:23]2[CH2:22][CH2:21][C:20]([F:19])([F:27])[CH2:25][CH2:24]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

Reactant 3

HCID 6342AcetonitrileHCID 3847030(4,4-Difluorocyclohexyl)amineHCID 672431604-Chloro-2-isopropyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide

Product 1

HCID 116824504-[(4,4-Difluorocyclohexyl)amino]-2-isopropyl-5-phenylisothiazol-3(2H)-one 1,1-dioxide

Sources & evidence

ORD record
ord-94fd6d0556cf4188afbe06eadd0e4807
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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