Hydrochloric Acid → 5-Phenyl-isoxazole-3-carboxylic acid {2-oxo-2-[4-(2-trifluoromethyl-phenylamino)-piperidin-1-yl]-ethyl}-amide
Reaction equation
[CH3:38][CH2:39][N:40]=[C:41]=[N:42][CH2:43][CH2:44][CH2:45][N:46]([CH3:47])[CH3:48].[CH:19]([N:20]([CH2:21][CH3:22])[CH:23]([CH3:24])[CH3:25])([CH3:26])[CH3:27].[ClH:49].[ClH:50].[ClH:51].[NH:52]1[CH2:53][CH2:54][CH:55]([NH:58][c:59]2[c:60]([C:65]([F:66])([F:67])[F:68])[cH:61][cH:62][cH:63][cH:64]2)[CH2:56][CH2:57]1.[O:69]=[CH:70][N:71]([CH3:72])[CH3:73].[OH2:74].[OH:28][n:29]1[c:30]2[c:31]([cH:32][cH:33][cH:34][cH:35]2)[n:36][n:37]1.[c:1]1(-[c:7]2[cH:8][c:9]([C:12](=[O:13])[NH:14][CH2:15][C:16](=[O:17])[OH:18])[n:10][o:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[cH:8][c:9]([C:12](=[O:13])[NH:14][CH2:15][C:16](=[O:18])[N:52]3[CH2:53][CH2:54][CH:55]([NH:58][c:59]4[c:60]([C:65]([F:66])([F:67])[F:68])[cH:61][cH:62][cH:63][cH:64]4)[CH2:56][CH2:57]3)[n:10][o:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
9
Reactant 8
HCID 313Hydrochloric Acid3×
HCID 962Water
HCID 6228Dimethylformamide
HCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide
HCID 757711-Hydroxybenzotriazole
HCID 81531Diisopropylethylamine
HCID 433543392-[(5-Phenyl-1,2-oxazol-3-yl)formamido]acetic acid
HCID 54902682Piperidin-4-yl-(2-trifluoromethylphenyl)amineProduct 1
Sources & evidence
- ORD record
- ord-8ade112a5bfe4792bdb8af62494881c0
- Source dataset
- Test data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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