Cyanide → Methyl 4-cyano-3-nitrobenzoate
Reaction equation
[C-:27]#[N:28].[C-:30]#[N:31].[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([N+:18](=[O:19])[O-:20])[c:7]([O:10][S:11]([C:12]([F:13])([F:14])[F:15])(=[O:16])=[O:17])[cH:8][cH:9]1)=[O:21].[CH3:22][N:23]([CH3:24])[CH:25]=[O:26].[Zn+2:29].[cH:32]1[cH:33][cH:34][c:35]([P:36]([Pd:37]([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[cH:107][cH:108]1>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([N+:18](=[O:19])[O-:20])[c:7]([C:22]#[N:23])[cH:8][cH:9]1)=[O:21]Participants
6
Sources & evidence
- ORD record
- ord-a88e395bee0e45c08b29ce82a6870740
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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