Sodium ion → 1-{3-[4-(2-chloro-6-nitro-phenyl)-piperazin-1-yl]-propyl}-5-methanesulfonyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
Reaction equation
[C:51]([O:52][BH-:53]([O:54][C:55](=[O:56])[CH3:57])[O:58][C:59](=[O:60])[CH3:61])(=[O:62])[CH3:63].[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:28][c:29]1[c:30]([N:38]2[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]2)[c:31]([N+:35](=[O:36])[O-:37])[cH:32][cH:33][cH:34]1.[Cl:65][CH2:66][Cl:67].[Na+:44].[Na+:45].[Na+:64].[O-:46][S:47](=[O:48])(=[O: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:41]3[CH2:40][CH2:39][N:38]([c:30]4[c:29]([Cl:28])[cH:34][cH:33][cH:32][c:31]4[N+:35](=[O:36])[O-:37])[CH2:43][CH2:42]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-d90c5428d38b40b596cc0ca35410eb15
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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