Acetic Acid → 5-Methanesulfonyl-1-[3-[4-(2-nitro-phenyl)-piperazin-1-yl]-propyl]-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
Reaction equation
[C:43]([OH:44])(=[O:45])[CH3:46].[CH3:1][S:2](=[O:3])(=[O:4])[N:5]1[CH2:6][c:7]2[c:8]([n:11]([CH2:24][CH2:25][CH:26]=[O:27])[n:12][c:13]2-[c:14]2[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[CH2:9][CH2:10]1.[Cl:52][CH2:53][Cl:54].[N+:28](=[O:29])([O-:30])[c:31]1[c:32]([N:37]2[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]2)[cH:33][cH:34][cH:35][cH:36]1.[Na+:51].[O-:47][C:48]([OH:49])=[O:50]>>[CH3:1][S:2](=[O:3])(=[O:4])[N:5]1[CH2:6][c:7]2[c:8]([n:11]([CH2:24][CH2:25][CH2:26][N:40]3[CH2:39][CH2:38][N:37]([c:32]4[c:31]([N+:28](=[O:29])[O-:30])[cH:36][cH:35][cH:34][cH:33]4)[CH2:42][CH2:41]3)[n:12][c:13]2-[c:14]2[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]2)[CH2:9][CH2:10]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-51b5e9bc7d774af0ab5db802fb4be3d9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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