Acetonitrile → HCID 11496938, compound

HRID 1224926Notes

Reaction equation

HRID 1224926 reaction equation
[CH2:1]([CH2:2][CH2:3][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].[CH3:37][C:38]#[N:39].[NH2:20][c:21]1[cH:22][cH:23][c:24]2[c:25]([cH:26][c:27]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[o:28]2)[cH:36]1>>[CH2:1]([CH2:2][CH2:3][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:20][c:21]2[cH:22][cH:23][c:24]3[c:25]([cH:26][c:27]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[o:28]3)[cH:36]2)[C:9]1=[O:10]

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 10513804HCID 10513804, compoundHCID 672426232-Butyl-4-chloro-5-phenylisothiazol-3(2H)-one 1,1-dioxide

Product 1

HCID 11496938HCID 11496938, compound

Sources & evidence

ORD record
ord-897f5e128c2e4794bfd1bf56247f073a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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