Acetic Acid → 1-Methyl-4-(3-nitro-6-pentafluoroethyl-phenoxymethyl)-piperidine
Reaction equation
[C:28]([BH3-:29])#[N:30].[CH2:25]=[O:26].[CH3:32][C:33](=[O:34])[OH:35].[CH3:36][C:37]#[N:38].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([O:7][CH2:8][CH:9]2[CH2:10][CH2:11][NH:12][CH2:13][CH2:14]2)[c:15]([C:18]([C:19]([F:20])([F:21])[F:22])([F:23])[F:24])[cH:16][cH:17]1.[Na+:31].[OH2:27]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([O:7][CH2:8][CH:9]2[CH2:10][CH2:11][N:12]([CH3:28])[CH2:13][CH2:14]2)[c:15]([C:18]([C:19]([F:20])([F:21])[F:22])([F:23])[F:24])[cH:16][cH:17]1Participants
8
Sources & evidence
- ORD record
- ord-3e79d5bb3df34d7593665421cef73cb6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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