Hydrochloric Acid → 5-methyl-N-(4-nitrophenyl)-7-phenylimidazo[5,1-f][1,2,4]triazin-2-amine
Reaction equation
[CH3:29][C:30]([CH3:31])([O-:32])[CH3:33].[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.[CH3:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[ClH:1].[I:19][c:20]1[cH:21][cH:22][c:23]([N+:26](=[O:27])[O-:28])[cH:24][cH:25]1.[Na+:34].[O:37]=[C:38]([CH:39]=[CH:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[CH:47]=[CH:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[O:55]=[C:56]([CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)[CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[O:73]=[C:74]([CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1)[CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[Pd:35].[Pd:36]>>[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](=[O:27])[O-:28])[cH:24][cH:25]3)[n:9][cH:10][c:11]12Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-203e54cf0ca04cff9dc18aa5357bca2c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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