Acetic Acid → 1-{1-[3-(Ethyloxy)-4-nitrophenyl]-4-piperidinyl}-4-(methylsulfonyl)piperazine
Reaction equation
[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([N:13]2[CH2:14][CH2:15][C:16](=[O:19])[CH2:17][CH2:18]2)[cH:7][cH:8][c:9]1[N+:10](=[O:11])[O-:12].[CH3:20][S:21](=[O:22])(=[O:23])[N:24]1[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]1.[CH3:30][C:31](=[O:32])[OH:33].[Na+:38].[O-:34][C:35]([OH:36])=[O:37]>>[CH2:1]([CH3:2])[O:3][c:4]1[cH:5][c:6]([N:13]2[CH2:14][CH2:15][CH:16]([N:27]3[CH2:26][CH2:25][N:24]([S:21]([CH3:20])(=[O:22])=[O:23])[CH2:29][CH2:28]3)[CH2:17][CH2:18]2)[cH:7][cH:8][c:9]1[N+:10](=[O:11])[O-:12]Participants
6
Sources & evidence
- ORD record
- ord-3b4734bd12ef4884a9cc6984a16236c7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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