Sodium ion → 7-(3-{[4-(1H-imidazol-1-yl)phenyl]amino}phenyl)-5-methyl-N-(3,4,5-trimethoxyphenyl)-imidazo[5,1-f][1,2,4]triazin-2-amine
Reaction equation
[Br:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][c:10]([CH3:30])[c:11]3[cH:12][n:13][c:14]([NH:17][c:18]4[cH:19][c:20]([O:28][CH3:29])[c:21]([O:26][CH3:27])[c:22]([O:24][CH3:25])[cH:23]4)[n:15][n:16]23)[cH:5][cH:6][cH:7]1.[C:43]([P:44]([C:45]([CH3:46])([CH3:47])[CH3:48])[c:49]1[cH:50][cH:51][cH:52][cH:53][c:54]1-[c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)([CH3:61])([CH3:62])[CH3:63].[CH2:70]1[O:71][CH2:72][CH2:73][O:74][CH2:75]1.[CH3:64][C:65]([CH3:66])([O-:67])[CH3:68].[Na+:69].[n:31]1(-[c:36]2[cH:37][cH:38][c:39]([NH2:40])[cH:41][cH:42]2)[cH:32][n:33][cH:34][cH:35]1>>[c:2]1([NH:40][c:39]2[cH:38][cH:37][c:36](-[n:31]3[cH:32][n:33][cH:34][cH:35]3)[cH:42][cH:41]2)[cH:3][c:4](-[c:8]2[n:9][c:10]([CH3:30])[c:11]3[cH:12][n:13][c:14]([NH:17][c:18]4[cH:19][c:20]([O:28][CH3:29])[c:21]([O:26][CH3:27])[c:22]([O:24][CH3:25])[cH:23]4)[n:15][n:16]23)[cH:5][cH:6][cH:7]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-451f2fde0fdc4851a933784c3a12ffaa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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