Sodium ion → 7-Methyl-N-((1-methylpiperidin-4-yl)methyl)-3-(3-(trifluoromethoxy)phenyl)-imidazo[1,2-b]pyridazin-6-amine

HRID 145195

Reaction equation

HRID 145195 reaction equation
[CH3:23][N:24]1[CH2:25][CH2:26][CH:27]([CH2:30][NH2:31])[CH2:28][CH2:29]1.[CH3:32][C:33]([CH3:34])([O-:35])[CH3:36].[CH3:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[Cl:1][c:2]1[c:3]([CH3:22])[cH:4][c:5]2[n:6]([n:7]1)[c:8](-[c:11]1[cH:12][c:13]([O:17][C:18]([F:19])([F:20])[F:21])[cH:14][cH:15][cH:16]1)[cH:9][n:10]2.[Na+:37].[O:40]=[C:41]([CH:42]=[CH:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1)[CH:50]=[CH:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[O:58]=[C:59]([CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1)[CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[Pd:38].[Pd:39]>>[c:2]1([NH:31][CH2:30][CH:27]2[CH2:26][CH2:25][N:24]([CH3:23])[CH2:29][CH2:28]2)[c:3]([CH3:22])[cH:4][c:5]2[n:6]([n:7]1)[c:8](-[c:11]1[cH:12][c:13]([O:17][C:18]([F:19])([F:20])[F:21])[cH:14][cH:15][cH:16]1)[cH:9][n:10]2

Participants

8

Reactant 7

HCID 923Sodium ionHCID 1140TolueneHCID 23938Palladium2×HCID 815741-Methylpiperidine-4-methylamineHCID 95417Dibenzylidene acetone3×HCID 45749132-Methylpropan-2-olateHCID 593802636-Chloro-7-methyl-3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazine

Product 1

HCID 250256447-Methyl-N-((1-methylpiperidin-4-yl)methyl)-3-(3-(trifluoromethoxy)phenyl)-imidazo[1,2-b]pyridazin-6-amine

Sources & evidence

ORD record
ord-af2301475c4e4bc6b12651cf2ca6b6f1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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