Acetate → N-(6-(6-chloro-5-(methylsulfonamido)pyridin-3-yl)imidazo[1,2-b]pyridazin-2-yl)acetamide

HRID 98728Notes

Reaction equation

HRID 98728 reaction equation
[Br:24][c:25]1[cH:26][c:27]([NH:32][S:33](=[O:34])(=[O:35])[CH3:36])[c:28]([Cl:31])[n:29][cH:30]1.[CH3:15][S:16]([CH3:17])=[O:18].[CH3:20][C:21](=[O:22])[O-:23].[CH3:44][C:45](=[O:46])[O-:47].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([n:7]1)[cH:8][c:9]([NH:11][C:12]([CH3:13])=[O:14])[n:10]2.[K+:19].[Na+:37].[Na+:38].[Na+:43].[O-:39][C:40](=[O:41])[O-:42].[OH2:48]>>[c:2]1(-[c:25]2[cH:26][c:27]([NH:32][S:33](=[O:34])(=[O:35])[CH3:36])[c:28]([Cl:31])[n:29][cH:30]2)[cH:3][cH:4][c:5]2[n:6]([n:7]1)[cH:8][c:9]([NH:11][C:12]([CH3:13])=[O:14])[n:10]2

Participants

9

Reactant 8

HCID 175Acetate2×HCID 679Dimethyl SulfoxideHCID 813Potassium CationHCID 923Sodium ion3×HCID 962WaterHCID 19660Carbonate IonHCID 59519510N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)acetamideHCID 59519513N-(5-bromo-2-chloro-3-pyridinyl)methanesulfonamide

Product 1

HCID 44125613N-(6-(6-chloro-5-(methylsulfonamido)pyridin-3-yl)imidazo[1,2-b]pyridazin-2-yl)acetamide

Sources & evidence

ORD record
ord-fb6dce7ebe2f4085919dff6ca89df352
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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