Ethanol → 9-Fluoro-7-(2,3-difluoro4-octyloxyphenyl)-2-octyloxyphenanthrene
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]3[cH:7][cH:8][c:9]([O:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[cH:10][c:11]3[cH:12][c:13]([F:16])[c:14]2[cH:15]1.[CH3:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[CH3:59][CH2:60][OH:61].[F:26][c:27]1[c:28]([B:43]([OH:44])[OH:45])[cH:29][cH:30][c:31]([O:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42])[c:32]1[F:33].[Na+:46].[Na+:47].[O-:48][C:49](=[O:50])[O-:51].[OH2:62].[Pd:63].[c:102]1([P:103]([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[cH:116][cH:117][cH:118][cH:119][cH:120]1.[c:121]1([P:122]([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][cH:137][cH:138][cH:139]1.[c:64]1([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[cH:78][cH:79][cH:80][cH:81][cH:82]1.[c:83]1([P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[cH:97][cH:98][cH:99][cH:100][cH:101]1>>[c:2]1(-[c:28]2[c:27]([F:26])[c:32]([F:33])[c:31]([O:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH3:42])[cH:30][cH:29]2)[cH:3][cH:4][c:5]2[c:6]3[cH:7][cH:8][c:9]([O:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[cH:10][c:11]3[cH:12][c:13]([F:16])[c:14]2[cH:15]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-b4516d7348c74e8b922065d7aa09f9eb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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