Caprolactam → 1-(1-methyl-4-nitro-1H-pyrazol-5-yl)azepan-2-one
Reaction equation
[Br:9][c:10]1[c:11]([N+:16](=[O:17])[O-:18])[cH:12][n:13][n:14]1[CH3:15].[C:19](=[O:20])([O-:21])[O-:22].[Cs+:23].[Cs+:24].[O:1]=[C:2]1[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][NH:8]1.[O:25]1[CH2:26][CH2:27][O:28][CH2:29][CH2:30]1.[O:33]=[C:34]([CH:35]=[CH:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[CH:43]=[CH:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[O:51]=[C:52]([CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1)[CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[O:69]=[C:70]([CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1)[CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[Pd:31].[Pd:32]>>[O:1]=[C:2]1[CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][N:8]1[c:10]1[c:11]([N+:16](=[O:17])[O-:18])[cH:12][n:13][n:14]1[CH3:15]Participants
8
Sources & evidence
- ORD record
- ord-d63e01fe06c648548fa379a679fd1fc6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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