Benzyl mercaptan → 1-Benzylsulfanyl-3-bromo-5-fluoro-2-methoxy-benzene
Reaction equation
[Br:1][c:2]1[c:3]([O:10][CH3:11])[c:4]([Br:9])[cH:5][c:6]([F:8])[cH:7]1.[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[O:31]=[C:32]([CH:33]=[CH:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[CH:41]=[CH:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[O:49]=[C:50]([CH:51]=[CH:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1)[CH:59]=[CH:60][c:61]1[cH:62][cH:63][cH:64][cH:65][cH:66]1.[O:67]=[C:68]([CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1)[CH:77]=[CH:78][c:79]1[cH:80][cH:81][cH:82][cH:83][cH:84]1.[Pd:29].[Pd:30].[c:12]1([CH2:18][SH:19])[cH:13][cH:14][cH:15][cH:16][cH:17]1>>[c:2]1([S:19][CH2:18][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[c:3]([O:10][CH3:11])[c:4]([Br:9])[cH:5][c:6]([F:8])[cH:7]1Participants
6
Sources & evidence
- ORD record
- ord-cf01eb1ed2ef4d3f9bed9f31c1356244
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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