Hydrochloric Acid → 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[1-(5-cyano-2-pyridinyl)-3-(4-fluorophenyl)piperidin-4-yl]-1,3-dimethylurea
Reaction equation
[CH3:53][S:54]([CH3:55])=[O:56].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[Cl:35][c:36]1[cH:37][cH:38][c:39]([C:42]#[N:43])[cH:40][n:41]1.[ClH:1].[F:2][C:3]([c:4]1[cH:5][c:6]([N:14]([C:15](=[O:16])[N:17]([CH3:18])[CH:19]2[CH:20]([c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[CH2:21][NH:22][CH2:23][CH2:24]2)[CH3:32])[cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1)([F:33])[F:34]>>[F:2][C:3]([c:4]1[cH:5][c:6]([N:14]([C:15](=[O:16])[N:17]([CH3:18])[CH:19]2[CH:20]([c:25]3[cH:26][cH:27][c:28]([F:31])[cH:29][cH:30]3)[CH2:21][N:22]([c:36]3[cH:37][cH:38][c:39]([C:42]#[N:43])[cH:40][n:41]3)[CH2:23][CH2:24]2)[CH3:32])[cH:7][c:8]([C:10]([F:11])([F:12])[F:13])[cH:9]1)([F:33])[F:34]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-36ef5cbd8e10440387b984d39c525fba
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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