4-tert-Butylphenol → 4-[(3-{[4-(1,1-Dimethylethyl)phenyl]oxy}propyl)(2,2-dimethylpropyl)amino]-2-(trifluoromethyl)benzonitrile
Reaction equation
[CH3:1][C:2]([CH2:3][N:4]([c:5]1[cH:6][c:7]([C:13]([F:14])([F:15])[F:16])[c:8]([C:9]#[N:10])[cH:11][cH:12]1)[CH2:17][CH2:18][CH2:19][OH:20])([CH3:21])[CH3:22].[CH3:23][C:24]([CH3:25])([CH3:26])[c:27]1[cH:28][cH:29][c:30]([OH:31])[cH:32][cH:33]1>>[CH3:1][C:2]([CH2:3][N:4]([c:5]1[cH:6][c:7]([C:13]([F:14])([F:15])[F:16])[c:8]([C:9]#[N:10])[cH:11][cH:12]1)[CH2:17][CH2:18][CH2:19][O:20][c:30]1[cH:29][cH:28][c:27]([C:24]([CH3:23])([CH3:25])[CH3:26])[cH:33][cH:32]1)([CH3:21])[CH3:22]Participants
3
Sources & evidence
- ORD record
- ord-0774059853e3436a94d3c88394258474
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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