Hydrochloric Acid → N-methyl-N-{4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]phenyl}urea

HRID 2153122Notes

Reaction equation

HRID 2153122 reaction equation
[Br:19][c:20]1[cH:21][cH:22][c:23]([N:26]([C:27](=[O:28])[NH2:29])[CH3:30])[cH:24][cH:25]1.[C:31]([P:32]([C:33]([CH3:34])([CH3:35])[CH3:36])[c:37]1[cH:38][cH:39][cH:40][cH:41][c:42]1-[c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1)([CH3:49])([CH3:50])[CH3:51].[CH3:2][c:3]1[n:4][c:5](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:6]2[n:7][c:8]([NH2:12])[n:9][cH:10][c:11]12.[CH3:52][C:53]([CH3:54])([O-:55])[CH3:56].[ClH:1].[Na+:57].[O:102]=[C:103]([CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1)[CH:112]=[CH:113][c:114]1[cH:115][cH:116][cH:117][cH:118][cH:119]1.[O:58]1[CH2:59][CH2:60][O:61][CH2:62][CH2:63]1.[O:66]=[C:67]([CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[O:84]=[C:85]([CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)[CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1.[Pd:64].[Pd:65]>>[CH3:2][c:3]1[n:4][c:5](-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[n:6]2[n:7][c:8]([NH:12][c:20]3[cH:21][cH:22][c:23]([N:26]([C:27](=[O:28])[NH2:29])[CH3:30])[cH:24][cH:25]3)[n:9][cH:10][c:11]12

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 23938Palladium2×HCID 312751,4-DioxaneHCID 95417Dibenzylidene acetone3×HCID 27342152-(Di-tert-butylphosphino)biphenylHCID 45749132-Methylpropan-2-olateHCID 445896945-Methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amineHCID 57260299N-(4-bromophenyl)-N-methylurea

Product 1

HCID 68868122N-methyl-N-{4-[(5-methyl-7-phenylimidazo[5,1-f][1,2,4]triazin-2-yl)amino]phenyl}urea

Sources & evidence

ORD record
ord-6c09244388e540dabf99a08b8089fa28
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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