Acetic Acid → 1-{3-[4-(2-Amino-6-chloro-phenyl)-piperazin-1-yl]-propyl}-3-(4-trifluoromethyl-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridine-5-carboxylic acid tert-butyl ester
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[c:11]([n:14]([CH2:27][CH2:28][CH2:29][N:30]3[CH2:31][CH2:32][N:33]([c:36]4[c:37]([Cl:45])[cH:38][cH:39][cH:40][c:41]4[N+:42]([O-:43])=[O:44])[CH2:34][CH2:35]3)[n:15][c:16]2-[c:17]2[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]2)[CH2:12][CH2:13]1.[CH3:46][C:47](=[O:48])[OH:49].[CH3:55][OH:56].[Cl:57][CH2:58][Cl:59].[Na+:54].[O-:50][C:51]([OH:52])=[O:53].[Zn:60]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][c:10]2[c:11]([n:14]([CH2:27][CH2:28][CH2:29][N:30]3[CH2:31][CH2:32][N:33]([c:36]4[c:37]([Cl:45])[cH:38][cH:39][cH:40][c:41]4[NH2:42])[CH2:34][CH2:35]3)[n:15][c:16]2-[c:17]2[cH:18][cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]2)[CH2:12][CH2:13]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-cd83208b3f3b4446b4626254688a9faa
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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