Water → Acetic acid 2-[4-(4,6-dimethyl-pyridin-2-yl)-piperazin-1-yl]-5-nitro-phenyl ester
Reaction equation
[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:32][C:33]([Cl:34])=[O:35].[CH3:8][c:9]1[cH:10][c:11]([N:16]2[CH2:17][CH2:18][N:19]([c:22]3[c:23]([OH:31])[cH:24][c:25]([N+:28](=[O:29])[O-:30])[cH:26][cH:27]3)[CH2:20][CH2:21]2)[n:12][c:13]([CH3:15])[cH:14]1.[Cl:37][CH2:38][Cl:39].[OH2:36]>>[CH3:8][c:9]1[cH:10][c:11]([N:16]2[CH2:17][CH2:18][N:19]([c:22]3[c:23]([O:31][C:33]([CH3:32])=[O:35])[cH:24][c:25]([N+:28](=[O:29])[O-:30])[cH:26][cH:27]3)[CH2:20][CH2:21]2)[n:12][c:13]([CH3:15])[cH:14]1Participants
6
Sources & evidence
- ORD record
- ord-e3c9cd4180464930a39c06412ec5974a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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