Toluene → Methyl 2-(3-cyclohexyl-1,1,1-trifluoro-3-nitropropan-2-ylamino)-3,3-dimethylbutanoate
Reaction equation
[CH3:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH:26]([N:27]([CH:28]([CH3:29])[CH3:30])[CH2:31][CH3:32])([CH3:33])[CH3:34].[F:1][C:2]([CH:3]=[C:4]([N+:5](=[O:6])[O-:7])[CH:8]1[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]1)([F:14])[F:15].[NH2:16][CH:17]([C:18](=[O:19])[O:20][CH3:21])[C:22]([CH3:23])([CH3:24])[CH3:25]>>[F:1][C:2]([CH:3]([CH:4]([N+:5](=[O:6])[O-:7])[CH:8]1[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13]1)[NH:16][CH:17]([C:18](=[O:19])[O:20][CH3:21])[C:22]([CH3:23])([CH3:24])[CH3:25])([F:14])[F:15]Participants
6
Sources & evidence
- ORD record
- ord-dcdd92a258494ea0aaef95b8766a4c1c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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