Hydrochloric Acid → {4-[2-Oxo-2-(3-trifluoromethyl-phenyl)-ethylcarbamoyl]-cyclohexylmethyl}-carbamic acid benzyl ester
Reaction equation
[CH2:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[O:23][C:24](=[O:25])[NH:26][CH2:27][CH:28]1[CH2:29][CH2:30][CH:31]([C:34](=[O:35])[OH:36])[CH2:32][CH2:33]1.[CH3:64][CH2:65][N:66]([CH2:67][CH3:68])[CH2:69][CH3:70].[ClH:1].[NH2:2][CH2:3][C:4](=[O:5])[c:6]1[cH:7][c:8]([C:12]([F:13])([F:14])[F:15])[cH:9][cH:10][cH:11]1.[O:71]=[CH:72][N:73]([CH3:74])[CH3:75].[OH2:76].[P-:37]([F:38])([F:39])([F:40])([F:41])([F:42])[F:43].[n:44]1([O:45][P+:46]([N:47]([CH3:48])[CH3:49])([N:50]([CH3:51])[CH3:52])[N:53]([CH3:54])[CH3:55])[c:56]2[cH:57][cH:58][cH:59][cH:60][c:61]2[n:62][n:63]1>>[NH:2]([CH2:3][C:4](=[O:5])[c:6]1[cH:7][c:8]([C:12]([F:13])([F:14])[F:15])[cH:9][cH:10][cH:11]1)[C:34]([CH:31]1[CH2:30][CH2:29][CH:28]([CH2:27][NH:26][C:24]([O:23][CH2:16][c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)=[O:25])[CH2:33][CH2:32]1)=[O:35]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-6122bdd39c8b403c98b422a83e8d68b5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
Loading…