Acetonitrile → 3-Fluoro-4-(4-{2-methoxyethyl}-3-oxopiperazin-1-yl)nitrobenzene
Reaction equation
[CH3:1][O:2][CH2:3][CH2:4][N:5]1[C:6](=[O:11])[CH2:7][NH:8][CH2:9][CH2:10]1.[CH3:48][C:49]#[N:50].[CH:12]([N:13]([CH2:14][CH3:15])[CH:16]([CH3:17])[CH3:18])([CH3:19])[CH3:20].[CH:39]([N:40]([CH2:41][CH3:42])[CH:43]([CH3:44])[CH3:45])([CH3:46])[CH3:47].[F:21][c:22]1[cH:23][c:24]([N+:29](=[O:30])[O-:31])[cH:25][cH:26][c:27]1[F:28].[F:32][C:33]([F:34])([F:35])[C:36]([OH:37])=[O:38]>>[CH3:1][O:2][CH2:3][CH2:4][N:5]1[C:6](=[O:11])[CH2:7][N:8]([c:27]2[c:22]([F:21])[cH:23][c:24]([N+:29](=[O:30])[O-:31])[cH:25][cH:26]2)[CH2:9][CH2:10]1Participants
6
Sources & evidence
- ORD record
- ord-0ac6c6d01c634db1b9af643d10191a35
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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