Hydrogen Bromide → 6-chloro-imidazo[1,2-b]pyridazine-2-carboxylic acid [5-(3-chloro-4-trifluoromethyl-phenyl)-1H-benzoimidazol-2-yl]-amide

HRID 2325709Notes

Reaction equation

HRID 2325709 reaction equation
[BrH:47].[C:69](=[O:70])([OH:71])[O-:72].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([n:7]1)[cH:8][c:9]([C:11](=[O:12])[OH:13])[n:10]2.[Cl:48][c:49]1[cH:50][c:51](-[c:59]2[cH:60][c:61]3[c:62]([nH:63][c:64]([NH2:66])[n:65]3)[cH:67][cH:68]2)[cH:52][cH:53][c:54]1[C:55]([F:56])([F:57])[F:58].[Na+:73].[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[P-:14]([F:15])([F:16])([F:17])([F:18])([F:19])[F:20].[n:21]1([O:22][C:23]([N:24]([CH3:25])[CH3:26])=[N+:27]([CH3:28])[CH3:29])[c:30]2[cH:31][cH:32][cH:33][cH:34][c:35]2[n:36][n:37]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[n:6]([n:7]1)[cH:8][c:9]([C:11](=[O:13])[NH:66][c:64]1[nH:63][c:62]3[c:61]([cH:60][c:59](-[c:51]4[cH:50][c:49]([Cl:48])[c:54]([C:55]([F:56])([F:57])[F:58])[cH:53][cH:52]4)[cH:68][cH:67]3)[n:65]1)[n:10]2

Participants

10

Reactant 9

HCID 260Hydrogen BromideHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 130500O-benzotriazol-1-yl-tetramethyluroniumHCID 27946376-Chloroimidazo[1,2-b]pyridazine-2-carboxylic acidHCID 178508152HCID 178508152, compound

Product 1

HCID 1785224796-chloro-imidazo[1,2-b]pyridazine-2-carboxylic acid [5-(3-chloro-4-trifluoromethyl-phenyl)-1H-benzoimidazol-2-yl]-amide

Sources & evidence

ORD record
ord-8d947617a2e94cbdb8e4105c604b7031
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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