Toluene → Methyl 4-cyano-2-methylbenzoate
Reaction equation
[C-:25]#[N:26].[C-:28]#[N:29].[CH3:13][N:14]([CH3:15])[CH:16]=[O:17].[CH3:18][c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1.[CH3:1][O:2][C:3]([c:4]1[c:5]([CH3:11])[cH:6][c:7]([Br:10])[cH:8][cH:9]1)=[O:12].[Zn+2:27].[cH:30]1[cH:31][cH:32][c:33]([P:34]([Pd:35]([P:36]([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[cH:105][cH:106]1>>[CH3:1][O:2][C:3]([c:4]1[c:5]([CH3:11])[cH:6][c:7]([C:13]#[N:14])[cH:8][cH:9]1)=[O:12]Participants
7
Sources & evidence
- ORD record
- ord-18333a6724244075b74e8a21dc0becde
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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