Acetone → Flutiazin

HRID 665003Notes

Reaction equation

HRID 665003 reaction equation
[CH3:27][C:28](=[O:29])[CH3:30].[Cl-:1].[F:2][C:3]([c:4]1[cH:5][cH:6][c:7]2[c:16]([cH:17]1)[NH:15][c:14]1[c:9]([cH:10][cH:11][cH:12][c:13]1[C:18](=[O:19])[OH:20])[S:8]2)([F:21])[F:22].[K+:23].[S-:24][C:25]#[N:26]>>[F:2][C:3]([c:4]1[cH:5][cH:6][c:7]2[c:16]([cH:17]1)[NH:15][c:14]1[c:9]([cH:10][cH:11][cH:12][c:13]1[C:18](=[O:19])[OH:20])[S:8]2)([F:21])[F:22].[S:24]=[C:25]=[N-:26]

Participants

7

Reactant 5

HCID 180AcetoneHCID 312ChlorideHCID 813Potassium CationHCID 9322ThiocyanateHCID 23647Flutiazin

Product 2

HCID 23647FlutiazinHCID 178418790HCID 178418790, compound

Sources & evidence

ORD record
ord-2e24d0f8b0104640b148c06ed681a41d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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