Methane → 2-Amino-1-[2-[4-(tert-butoxycarbonyl)piperazin-1-yl]ethoxy]-4-(trifluoromethyl)benzene
Reaction equation
[C:32].[CH3:34][CH2:35][O:36][C:37]([CH3:38])=[O:39].[H:30][H:31].[N+:1]([O-:2])(=[O:3])[c:4]1[c:5]([O:6][CH2:7][CH2:8][N:9]2[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13][CH2:14]2)[cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]1.[Pd:33]>>[NH2:1][c:4]1[c:5]([O:6][CH2:7][CH2:8][N:9]2[CH2:10][CH2:11][N:12]([C:15](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:13][CH2:14]2)[cH:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]1Participants
6
Sources & evidence
- ORD record
- ord-fde51585f3464f2e819e6b71781ca52f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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