Benzene → 2-Methyl-2-cyano-7-(2-ethyl-4-(4-fluorophenyl)-5-benzyloxyphenoxy)heptane
Reaction equation
[CH3:1][C:2]([CH3:3])([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][O:9][c:10]1[c:11]([CH2:25][CH3:26])[cH:12][c:13]([Br:24])[c:14]([O:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:15]1)[C:27]#[N:28].[CH3:51][CH2:52][OH:53].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[F:35][c:36]1[cH:37][cH:38][c:39]([B:42]([OH:43])[OH:44])[cH:40][cH:41]1.[Na+:29].[Na+:30].[O-:31][C:32](=[O:33])[O-:34].[cH:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[cH:60]1[cH:61][cH:62][c:63]([P:64]([Pd:65]([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[P:104]([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)([c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[c:129]2[cH:130][cH:131][cH:132][cH:133][cH:134]2)[cH:135][cH:136]1>>[CH3:1][C:2]([CH3:3])([CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][O:9][c:10]1[c:11]([CH2:25][CH3:26])[cH:12][c:13](-[c:39]2[cH:38][cH:37][c:36]([F:35])[cH:41][cH:40]2)[c:14]([O:16][CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[cH:15]1)[C:27]#[N:28]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-8fe4929514b0497caa5e291e6a39dd2b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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