Acetonitrile → 3-[(3-Nitrophenyl)[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]amino]1,1,1-trifluoro-2-propanol
Reaction equation
[CH3:57][C:58]#[N:59].[F:25][C:26]([CH:27]1[CH2:28][O:29]1)([F:30])[F:31].[F:32][C:33]([F:34])([F:35])[S:36]([O-:37])(=[O:38])=[O:39].[F:41][C:42]([F:43])([F:44])[S:45]([O-:46])(=[O:47])=[O:48].[F:49][C:50]([F:51])([F:52])[S:53]([O-:54])(=[O:55])=[O:56].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([NH:10][CH2:11][c:12]2[cH:13][c:14]([O:18][C:19]([CH:20]([F:21])[F:22])([F:23])[F:24])[cH:15][cH:16][cH:17]2)[cH:7][cH:8][cH:9]1.[Yb+3:40]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([N:10]([CH2:11][c:12]2[cH:13][c:14]([O:18][C:19]([CH:20]([F:21])[F:22])([F:23])[F:24])[cH:15][cH:16][cH:17]2)[CH2:28][CH:27]([C:26]([F:25])([F:30])[F:31])[OH:29])[cH:7][cH:8][cH:9]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-08763e53de5c4954a5f92b6a700f54da
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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