Acetic Acid → 4-{1-[3-(Methyloxy)-4-nitrophenyl]-4-piperidinyl}-2-piperazinone
Reaction equation
[C:26]([OH:27])(=[O:28])[CH3:29].[C:30]([O:31][BH-:32]([O:33][C:34](=[O:35])[CH3:36])[O:37][C:38](=[O:39])[CH3:40])(=[O:41])[CH3:42].[CH3:1][O:2][c:3]1[cH:4][c:5]([N:12]2[CH2:13][CH2:14][C:15](=[O:18])[CH2:16][CH2:17]2)[cH:6][cH:7][c:8]1[N+:9](=[O:10])[O-:11].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH3:51][C:52]#[N:53].[NH:19]1[C:20](=[O:25])[CH2:21][NH:22][CH2:23][CH2:24]1.[Na+:43]>>[CH3:1][O:2][c:3]1[cH:4][c:5]([N:12]2[CH2:13][CH2:14][CH:15]([N:22]3[CH2:21][C:20](=[O:25])[NH:19][CH2:24][CH2:23]3)[CH2:16][CH2:17]2)[cH:6][cH:7][c:8]1[N+:9](=[O:10])[O-:11]Participants
8
Sources & evidence
- ORD record
- ord-7bbe664e822e42d1b8a76117bdefda92
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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