Sodium ion → 5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-amine
Reaction equation
[Br:22][c:23]1[cH:24][cH:25][c:26]([O:27][CH2:28][CH2:29][N:30]2[CH2:31][CH2:32][CH2:33][CH2:34]2)[cH:35][cH:36]1.[C:37]([P:38]([C:39]([CH3:40])([CH3:41])[CH3:42])[c:43]1[cH:44][cH:45][cH:46][cH:47][c:48]1-[c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1)([CH3:55])([CH3:56])[CH3:57].[CH2:64]1[O:65][CH2:66][CH2:67][O:68][CH2:69]1.[CH3:1][c:2]1[n:3][c:4](-[c:12]2[cH:13][c:14]([C:18]([F:19])([F:20])[F:21])[cH:15][cH:16][cH:17]2)[n:5]2[n:6][c:7]([NH2:11])[n:8][cH:9][c:10]12.[CH3:58][C:59]([CH3:60])([O-:61])[CH3:62].[Na+:63].[O:108]=[C:109]([CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1)[CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1.[O:72]=[C:73]([CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)[CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[Pd:70].[Pd:71]>>[CH3:1][c:2]1[n:3][c:4](-[c:12]2[cH:13][c:14]([C:18]([F:19])([F:20])[F:21])[cH:15][cH:16][cH:17]2)[n:5]2[n:6][c:7]([NH:11][c:23]3[cH:24][cH:25][c:26]([O:27][CH2:28][CH2:29][N:30]4[CH2:31][CH2:32][CH2:33][CH2:34]4)[cH:35][cH:36]3)[n:8][cH:9][c:10]12Participants
9
Reactant 8
HCID 923Sodium ion
HCID 23938Palladium2×
HCID 312751,4-Dioxane
HCID 70657N-(2-(p-bromophenoxy)ethyl)pyrrolidine
HCID 95417Dibenzylidene acetone3×
HCID 27342152-(Di-tert-butylphosphino)biphenyl
HCID 45749132-Methylpropan-2-olate
HCID 587120012-Amino-5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazinProduct 1
Sources & evidence
- ORD record
- ord-5e6a1b7febf74b46963539120ff16036
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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