Toluene → 3-[2-[4-(4-Butylcyclohexyl)cyclohexyl]ethenyl]-7-ethoxy-1,2,8-trifluoronaphthalene
Reaction equation
[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][cH:6][c:7]2[cH:8][c:9]([CH:17]([CH2:18][CH:19]3[CH2:20][CH2:21][CH:22]([CH:25]4[CH2:26][CH2:27][CH:28]([CH2:31][CH2:32][CH2:33][CH3:34])[CH2:29][CH2:30]4)[CH2:23][CH2:24]3)[OH:35])[c:10]([F:16])[c:11]([F:15])[c:12]2[c:13]1[F:14].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[c:36]1([CH3:37])[cH:38][cH:39][c:40]([S:41]([OH:42])(=[O:43])=[O:44])[cH:45][cH:46]1>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][cH:6][c:7]2[cH:8][c:9]([CH:17]=[CH:18][CH:19]3[CH2:20][CH2:21][CH:22]([CH:25]4[CH2:26][CH2:27][CH:28]([CH2:31][CH2:32][CH2:33][CH3:34])[CH2:29][CH2:30]4)[CH2:23][CH2:24]3)[c:10]([F:16])[c:11]([F:15])[c:12]2[c:13]1[F:14]Participants
4
Sources & evidence
- ORD record
- ord-00e80ae4db83456b9847c1595b60217d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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