1-Hexanethiol → 3-(4-Hexylsulfanyl-isoxazol-3-yl)-pyridine
Reaction equation
[Br:7][c:8]1[c:9](-[c:13]2[cH:14][n:15][cH:16][cH:17][cH:18]2)[n:10][o:11][cH:12]1.[CH2:19]([CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[SH:25].[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[O:1]1[CH2:2][CH2:3][O:4][CH2:5][CH2:6]1.[O:41]=[C:42]([CH:43]=[CH:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)[CH:51]=[CH:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[O:59]=[C:60]([CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)[CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[O:77]=[C:78]([CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)[CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[Pd:39].[Pd:40]>>[c:8]1([S:25][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[c:9](-[c:13]2[cH:14][n:15][cH:16][cH:17][cH:18]2)[n:10][o:11][cH:12]1Participants
8
Sources & evidence
- ORD record
- ord-bcff07c6f3e045bbab663a27d7678bf7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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