Cyanide → Methyl 4-cyano-2-fluorobenzoate
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([F:12])[c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1.[C-:18]#[N:19].[C-:21]#[N:22].[CH3:13][N:14]([CH3:15])[CH:16]=[O:17].[Pd:99].[Zn+2:20].[c:23]1([P:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[cH:37][cH:38][cH:39][cH:40][cH:41]1.[c:42]1([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:56][cH:57][cH:58][cH:59][cH:60]1.[c:61]1([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76][cH:77][cH:78][cH:79]1.[c:80]1([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[cH:94][cH:95][cH:96][cH:97][cH:98]1>>[c:2]1([C:13]#[N:14])[cH:3][c:4]([F:12])[c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1Participants
7
Sources & evidence
- ORD record
- ord-4b148bad0b584c43b28634f45c5f2847
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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