Toluene → 4-fluoro-N-[1-(4-fluorophenyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3-(trifluoromethyl)benzenecarbothioamide
Reaction equation
[CH3:44][O:45][c:46]1[cH:47][cH:48][c:49]([P:50]2(=[S:53])[S:51][P:52]([c:54]3[cH:55][cH:56][c:57]([O:58][CH3:59])[cH:60][cH:61]3)(=[S:62])[S:63]2)[cH:64][cH:65]1.[CH3:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[F:1][c:2]1[c:3]([C:40]([F:41])([F:42])[F:43])[cH:4][c:5]([C:6](=[O:7])[NH:8][C:9]([CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)([c:17]2[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]2)[c:24]2[cH:25][c:26]([F:37])[cH:27][c:28]([O:30][C:31]([CH:32]([F:33])[F:34])([F:35])[F:36])[cH:29]2)[cH:38][cH:39]1>>[F:1][c:2]1[c:3]([C:40]([F:41])([F:42])[F:43])[cH:4][c:5]([C:6]([NH:8][C:9]([CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)([c:17]2[cH:18][cH:19][c:20]([F:23])[cH:21][cH:22]2)[c:24]2[cH:25][c:26]([F:37])[cH:27][c:28]([O:30][C:31]([CH:32]([F:33])[F:34])([F:35])[F:36])[cH:29]2)=[S:53])[cH:38][cH:39]1Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-49f5c13488094ba9a41f7823ea97a9b7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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