Hydrochloric Acid → Biphenyl-4-carboxylic acid {2-oxo-2-[4-(2-trifluoromethyl-phenylamino)-piperidin-1-yl]-ethyl}-amide
Reaction equation
[CH3:39][CH2:40][N:41]=[C:42]=[N:43][CH2:44][CH2:45][CH2:46][N:47]([CH3:48])[CH3:49].[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[ClH:50].[ClH:51].[ClH:52].[NH:53]1[CH2:54][CH2:55][CH:56]([NH:59][c:60]2[c:61]([C:66]([F:67])([F:68])[F:69])[cH:62][cH:63][cH:64][cH:65]2)[CH2:57][CH2:58]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH2:75].[OH:29][n:30]1[c:31]2[c:32]([cH:33][cH:34][cH:35][cH:36]2)[n:37][n:38]1.[c:1]1(-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:2][cH:3][c:4]([C:7](=[O:8])[NH:9][CH2:10][C:11](=[O:12])[OH:13])[cH:5][cH:6]1>>[c:1]1(-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:2][cH:3][c:4]([C:7](=[O:8])[NH:9][CH2:10][C:11](=[O:13])[N:53]2[CH2:54][CH2:55][CH:56]([NH:59][c:60]3[c:61]([C:66]([F:67])([F:68])[F:69])[cH:62][cH:63][cH:64][cH:65]3)[CH2:57][CH2:58]2)[cH:5][cH:6]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-186562ecb61445df92d25d8e7226f409
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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