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

HRID 1553853Notes

Reaction equation

HRID 1553853 reaction equation
[Br:49][c:50]1[cH:51][c:52]([O:58][CH3:59])[c:53]([O:56][CH3:57])[n:54][cH:55]1.[CH3:40][S:41]([CH3:42])=[O:43].[CH3:45][C:46](=[O:47])[O-:48].[Cl:1][c:2]1[n:3][cH:4][c:5](-[c:6]2[cH:7][cH:8][c:9]3[n:10]([cH:11][c:12]([NH:13][C:14](=[O:15])[CH3:16])[n:17]3)[n:18]2)[cH:19][c:20]1[NH:21][S:22]([CH3:23])(=[O:24])=[O:25].[Cl:26][c:27]1[cH:28][cH:29][c:30]2[n:31]([n:32]1)[cH:33][c:34]([NH:36][C:37]([CH3:38])=[O:39])[n:35]2.[K+:44].[Na+:60].[Na+:61].[O-:62][C:63](=[O:64])[O-:65]>>[c:27]1(-[c:50]2[cH:51][c:52]([O:58][CH3:59])[c:53]([O:56][CH3:57])[n:54][cH:55]2)[cH:28][cH:29][c:30]2[n:31]([n:32]1)[cH:33][c:34]([NH:36][C:37]([CH3:38])=[O:39])[n:35]2

Participants

9

Reactant 8

HCID 175AcetateHCID 679Dimethyl SulfoxideHCID 813Potassium CationHCID 923Sodium ion2×HCID 19660Carbonate IonHCID 125630845-Bromo-2,3-dimethoxypyridineHCID 44125613N-(6-(6-chloro-5-(methylsulfonamido)pyridin-3-yl)imidazo[1,2-b]pyridazin-2-yl)acetamideHCID 59519510N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)acetamide

Product 1

HCID 44125612N-(6-(5,6-dimethoxypyridin-3-yl)imidazo[1,2-b]pyridazin-2-yl)acetamide

Sources & evidence

ORD record
ord-fb54a271d68447f4bf9d55f293f4fbeb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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