Cyanide → 2-Fluoro-4-[7-(quinoxalin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzonitrile
Reaction equation
[Br:1][c:2]1[c:3]([F:28])[cH:4][c:5](-[c:8]2[cH:9][n:10][c:11]3[n:12]([n:13]2)[c:14]([CH2:17][c:18]2[cH:19][c:20]4[n:21][cH:22][cH:23][n:24][c:25]4[cH:26][cH:27]2)[cH:15][n:16]3)[cH:6][cH:7]1.[C-:101]#[N:102].[C-:98]#[N:99].[CH3:29][N:30]([CH3:31])[CH2:32][CH2:33][N:34]([CH3:35])[CH3:36].[CH3:37][N:38]([CH3:39])[CH:40]=[O:41].[O:44]=[C:45]([CH:46]=[CH:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)[CH:54]=[CH:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[O:62]=[C:63]([CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1)[CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[O:80]=[C:81]([CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)[CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[Pd:42].[Pd:43].[Zn+2:100]>>[c:2]1([C:29]#[N:30])[c:3]([F:28])[cH:4][c:5](-[c:8]2[cH:9][n:10][c:11]3[n:12]([n:13]2)[c:14]([CH2:17][c:18]2[cH:19][c:20]4[n:21][cH:22][cH:23][n:24][c:25]4[cH:26][cH:27]2)[cH:15][n:16]3)[cH:6][cH:7]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-80e1524917304f3eb09d3dc5886fcdd4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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