Sodium ion → N-methyl-N-[4-({5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl}amino)phenyl]urea

HRID 156544Notes

Reaction equation

HRID 156544 reaction equation
[Br:22][c:23]1[cH:24][cH:25][c:26]([N:29]([C:30](=[O:31])[NH2:32])[CH3:33])[cH:27][cH:28]1.[C:34]([P:35]([C:36]([CH3:37])([CH3:38])[CH3:39])[c:40]1[cH:41][cH:42][cH:43][cH:44][c:45]1-[c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1)([CH3:52])([CH3:53])[CH3:54].[CH2:61]1[O:62][CH2:63][CH2:64][O:65][CH2:66]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.[CH3:55][C:56]([CH3:57])([O-:58])[CH3:59].[Na+:60].[O:105]=[C:106]([CH:107]=[CH:108][c:109]1[cH:110][cH:111][cH:112][cH:113][cH:114]1)[CH:115]=[CH:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1.[O:69]=[C:70]([CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1)[CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[O:87]=[C:88]([CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1)[CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1.[Pd:67].[Pd:68]>>[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]([N:29]([C:30](=[O:31])[NH2:32])[CH3:33])[cH:27][cH:28]3)[n:8][cH:9][c:10]12

Participants

9

Reactant 8

HCID 923Sodium ionHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 27342152-(Di-tert-butylphosphino)biphenylHCID 45749132-Methylpropan-2-olateHCID 57260299N-(4-bromophenyl)-N-methylureaHCID 587120012-Amino-5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin

Product 1

HCID 68869436N-methyl-N-[4-({5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl}amino)phenyl]urea

Sources & evidence

ORD record
ord-d02a6de396eb4c3a82ad25b715c37231
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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