Sodium ion → 6-((5-Cyano-2-methoxyphenyl)amino)-8-((2,2,2-trifluoroethyl)amino)imidazo[1,2-b]pyridazine-3-carbonitrile

HRID 1144241Notes

Reaction equation

HRID 1144241 reaction equation
[C:30]([P:31]([C:32]([CH3:33])([CH3:34])[CH3:35])[C:36]1([CH3:37])[CH2:38][C:39]1([c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)[c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)([CH3:52])([CH3:53])[CH3:54].[CH2:75]([Pd:76][Cl:77])[CH:78]=[CH2:79].[CH3:55][C:56]([CH3:57])([O-:58])[CH3:59].[CH3:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[Cl:1][c:2]1[cH:3][c:4]([NH:13][CH2:14][C:15]([F:16])([F:17])[F:18])[c:5]2[n:6]([n:7]1)[c:8]([C:11]#[N:12])[cH:9][n:10]2.[F:61][C:62]([F:63])([F:64])[C:65]([OH:66])=[O:67].[NH2:19][c:20]1[cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26][c:27]1[O:28][CH3:29].[Na+:60]>>[c:2]1([NH:19][c:20]2[cH:21][c:22]([C:23]#[N:24])[cH:25][cH:26][c:27]2[O:28][CH3:29])[cH:3][c:4]([NH:13][CH2:14][C:15]([F:16])([F:17])[F:18])[c:5]2[n:6]([n:7]1)[c:8]([C:11]#[N:12])[cH:9][n:10]2

Participants

9

Reactant 8

HCID 923Sodium ionHCID 1140TolueneHCID 6422Trifluoroacetic acidHCID 45749132-Methylpropan-2-olateHCID 21909131Di-tert-butyl(1-methyl-2,2-diphenylcyclopropyl)phosphaneHCID 224525573-Amino-4-methoxybenzonitrileHCID 866413826-Chloro-8-((2,2,2-trifluoroethyl)amino)imidazo[1,2-b]pyridazine-3-carbonitrileHCID 178455862HCID 178455862, compound

Product 1

HCID 593138006-((5-Cyano-2-methoxyphenyl)amino)-8-((2,2,2-trifluoroethyl)amino)imidazo[1,2-b]pyridazine-3-carbonitrile

Sources & evidence

ORD record
ord-c633aef7640543519ee6bd78452fd7c6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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