Benzene → 2-fluoro-4-(4-methoxyphenyl)benzonitrile
Reaction equation
[Br:12][c:13]1[cH:14][c:15]([F:21])[c:16]([C:17]#[N:18])[cH:19][cH:20]1.[C:22](=[O:23])([O-:24])[O-:25].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([B:9]([OH:10])[OH:11])[cH:7][cH:8]1.[CH3:30][CH2:31][OH:32].[Na+:26].[Na+:27].[Na+:29].[OH-:28].[cH:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[cH:39]1[cH:40][cH:41][c:42]([P:43]([Pd:44]([P:45]([c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:13]2[cH:14][c:15]([F:21])[c:16]([C:17]#[N:18])[cH:19][cH:20]2)[cH:7][cH:8]1Participants
9
Sources & evidence
- ORD record
- ord-9e4ee0e45abd417597750b80d9419435
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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