Hydrochloric Acid → Biphenyl-4-carboxylic acid (2-{4-[methyl-(2-trifluoromethyl-phenyl)-amino]-piperidin-1-yl}-2-oxo-ethyl)-amide

HRID 2147583Notes

Reaction equation

HRID 2147583 reaction equation
[CH3:39][CH2:40][N:41]=[C:42]=[N:43][CH2:44][CH2:45][CH2:46][N:47]([CH3:48])[CH3:49].[CH3:52][N:53]([c:54]1[c:55]([C:60]([F:61])([F:62])[F:63])[cH:56][cH:57][cH:58][cH:59]1)[CH:64]1[CH2:65][CH2:66][NH:67][CH2:68][CH2:69]1.[CH:20]([N:21]([CH2:22][CH3:23])[CH:24]([CH3:25])[CH3:26])([CH3:27])[CH3:28].[ClH:50].[ClH:51].[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:67]2[CH2:66][CH2:65][CH:64]([N:53]([CH3:52])[c:54]3[c:55]([C:60]([F:61])([F:62])[F:63])[cH:56][cH:57][cH:58][cH:59]3)[CH2:69][CH2:68]2)[cH:5][cH:6]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 962WaterHCID 6228DimethylformamideHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 2629432-((4-Phenylphenyl)formamido)acetic acidHCID 578744214-Piperidinamine, N-methyl-N-[2-(trifluoromethyl)phenyl]-

Product 1

HCID 44235027Biphenyl-4-carboxylic acid (2-{4-[methyl-(2-trifluoromethyl-phenyl)-amino]-piperidin-1-yl}-2-oxo-ethyl)-amide

Sources & evidence

ORD record
ord-54081d0ab887407787b5172d69dfe2f3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…