Acetonitrile → HCID 11661761, compound

HRID 2342447Notes

Reaction equation

HRID 2342447 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].[CH3:31][C:32]#[N:33].[F:20][CH:21]([O:22][c:23]1[cH:24][cH:25][c:26]([NH2:27])[cH:28][cH:29]1)[F:30]>>[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:27][c:26]2[cH:25][cH:24][c:23]([O:22][CH:21]([F:20])[F:30])[cH:29][cH:28]2)[C:9]1=[O:10]

Participants

4

Reactant 3

HCID 6342AcetonitrileHCID 7373634-(Difluoromethoxy)anilineHCID 672426232-Butyl-4-chloro-5-phenylisothiazol-3(2H)-one 1,1-dioxide

Product 1

HCID 11661761HCID 11661761, compound

Sources & evidence

ORD record
ord-a60f7122f7794f14a4d15c18dcd28a17
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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