Ethanol → 2-Fluoro-5-[4-(4-hydroxy-6-pyridin-3-ylhexan-3-yl)oxyphenyl]benzonitrile
Reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]([O:6][CH:7]([CH:8]([CH2:9][CH2:10][c:11]2[cH:12][n:13][cH:14][cH:15][cH:16]2)[OH:17])[CH2:18][CH3:19])[cH:20][cH:21]1.[C:22](#[N:23])[c:24]1[cH:25][c:26]([B:31]([OH:32])[OH:33])[cH:27][cH:28][c:29]1[F:30].[CH3:117][CH2:118][OH:119].[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([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)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[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)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116]1>>[c:2]1(-[c:26]2[cH:25][c:24]([C:22]#[N:23])[c:29]([F:30])[cH:28][cH:27]2)[cH:3][cH:4][c:5]([O:6][CH:7]([CH:8]([CH2:9][CH2:10][c:11]2[cH:12][n:13][cH:14][cH:15][cH:16]2)[OH:17])[CH2:18][CH3:19])[cH:20][cH:21]1Participants
7
Sources & evidence
- ORD record
- ord-d10c19b4da18481fa6eb33f0624e254e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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