Chloride → 5-chloro-4-[4-chloro-2-(2-cyanopyridin-4-yl)phenoxy]-N-(2,4-dimethoxybenzyl)-2-fluoro-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide

HRID 1553876Notes

Reaction equation

HRID 1553876 reaction equation
[Cl-:47].[Cl:17][c:18]1[c:19]([F:45])[cH:20][c:21]([F:44])[c:22]([S:24](=[O:25])(=[O:26])[N:27]([c:28]2[n:29][cH:30][n:31][s:32]2)[CH2:33][c:34]2[c:35]([O:42][CH3:43])[cH:36][c:37]([O:40][CH3:41])[cH:38][cH:39]2)[cH:23]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([OH:16])[c:6](-[c:8]2[cH:9][c:10]([C:14]#[N:15])[n:11][cH:12][cH:13]2)[cH:7]1.[Na+:46]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:16][c:19]2[c:18]([Cl:17])[cH:23][c:22]([S:24](=[O:25])(=[O:26])[N:27]([c:28]3[n:29][cH:30][n:31][s:32]3)[CH2:33][c:34]3[c:35]([O:42][CH3:43])[cH:36][c:37]([O:40][CH3:41])[cH:38][cH:39]3)[c:21]([F:44])[cH:20]2)[c:6](-[c:8]2[cH:9][c:10]([C:14]#[N:15])[n:11][cH:12][cH:13]2)[cH:7]1

Participants

5

Reactant 4

HCID 312ChlorideHCID 923Sodium ionHCID 594366145-chloro-N-(2,4-dimethoxybenzyl)-2,4-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamideHCID 1360636254-(5-Chloro-2-hydroxyphenyl)pyridine-2-carbonitrile

Product 1

HCID 594364755-chloro-4-[4-chloro-2-(2-cyanopyridin-4-yl)phenoxy]-N-(2,4-dimethoxybenzyl)-2-fluoro-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide

Sources & evidence

ORD record
ord-64d99c04d71c43b6b6d9f654a5c568f5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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