Tetrahydrofuran → Tert-butyl 2-[4-[3,5-bis(trifluoromethyl)benzoyl]-3-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]acetate
Reaction equation
[Br:32][CH2:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40].[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:14][c:15]3[cH:16][c:17]([CH3:22])[c:18]([CH3:21])[cH:19][cH:20]3)[CH2:10][NH:11][CH2:12][CH2:13]2)[cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]1)([F:30])[F:31].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1>>[F:1][C:2]([c:3]1[cH:4][c:5]([C:6](=[O:7])[N:8]2[CH:9]([CH2:14][c:15]3[cH:16][c:17]([CH3:22])[c:18]([CH3:21])[cH:19][cH:20]3)[CH2:10][N:11]([CH2:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:12][CH2:13]2)[cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]1)([F:30])[F:31]Participants
5
Sources & evidence
- ORD record
- ord-681e44df84a54b7c80066c5ca0b04056
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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