Sodium ion → N-(6-(6-Chloro-5-(3-(difluoromethoxy)phenylsulfonamido)pyridin-3-yl)imidazo[1,2-b]pyridazin-2-yl)acetamide

HRID 1219900Notes

Reaction equation

HRID 1219900 reaction equation
[Cl:1][c:2]1[n:3][cH:4][c:5]([B:22]2[O:23][C:24]([CH3:25])([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30]2)[cH:6][c:7]1[NH:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][c:14]([O:18][CH:19]([F:20])[F:21])[cH:15][cH:16][cH:17]1.[Cl:31][c:32]1[cH:33][cH:34][c:35]2[n:36]([n:37]1)[cH:38][c:39]([NH:41][C:42]([CH3:43])=[O:44])[n:40]2.[N:51]#[N:52].[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50].[O:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1.[OH2:53]>>[Cl:1][c:2]1[n:3][cH:4][c:5](-[c:32]2[cH:33][cH:34][c:35]3[n:36]([n:37]2)[cH:38][c:39]([NH:41][C:42]([CH3:43])=[O:44])[n:40]3)[cH:6][c:7]1[NH:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][c:14]([O:18][CH:19]([F:20])[F:21])[cH:15][cH:16][cH:17]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 947NitrogenHCID 962WaterHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 57416507N-[2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]-3-(difluoromethoxy)benzene-1-sulfonamideHCID 59519510N-(6-chloroimidazo[1,2-b]pyridazin-2-yl)acetamide

Product 1

HCID 44125259N-(6-(6-Chloro-5-(3-(difluoromethoxy)phenylsulfonamido)pyridin-3-yl)imidazo[1,2-b]pyridazin-2-yl)acetamide

Sources & evidence

ORD record
ord-945efc100ec647709e57c2e0afbad5a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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