Hydrochloric Acid → 5-(2-trifluoromethyl-phenyl)-1H-pyrazole-3-carboxylic acid {2-oxo-2-[4-(2-trifluoromethyl-benzoyl)-piperazin-1-yl]-ethyl}-amide
Reaction equation
[CH3:42][CH2:43][N:44]=[C:45]=[N:46][CH2:47][CH2:48][CH2:49][N:50]([CH3:51])[CH3:52].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[ClH:53].[F:10][C:11]([c:12]1[c:13](-[c:18]2[cH:19][c:20]([C:23](=[O:24])[NH:25][CH2:26][C:27](=[O:28])[OH:29])[n:21][nH:22]2)[cH:14][cH:15][cH:16][cH:17]1)([F:30])[F:31].[N:54]1([C:60](=[O:61])[c:62]2[c:63]([C:68]([F:69])([F:70])[F:71])[cH:64][cH:65][cH:66][cH:67]2)[CH2:55][CH2:56][NH:57][CH2:58][CH2:59]1.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[OH2:77].[OH:32][n:33]1[c:34]2[c:35]([cH:36][cH:37][cH:38][cH:39]2)[n:40][n:41]1>>[F:10][C:11]([c:12]1[c:13](-[c:18]2[cH:19][c:20]([C:23](=[O:24])[NH:25][CH2:26][C:27](=[O:29])[N:57]3[CH2:56][CH2:55][N:54]([C:60](=[O:61])[c:62]4[c:63]([C:68]([F:69])([F:70])[F:71])[cH:64][cH:65][cH:66][cH:67]4)[CH2:59][CH2:58]3)[n:21][nH:22]2)[cH:14][cH:15][cH:16][cH:17]1)([F:30])[F:31]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-092c8c07bc68419591e1e5633057fe85
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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