Hydrochloric Acid → methyl 3-[[4-[[N-[1-(4-chlorophenyl)ethylcarbamoyl]-4-cyclohexylanilino]methyl]benzoyl]amino]propanoate
Reaction equation
[CH3:46][CH2:47][N:48]=[C:49]=[N:50][CH2:51][CH2:52][CH2:53][N:54]([CH3:55])[CH3:56].[CH3:58][O:59][C:60]([CH2:61][CH2:62][NH2:63])=[O:64].[CH:65]([N:66]([CH2:67][CH3:68])[CH:69]([CH3:70])[CH3:71])([CH3:72])[CH3:73].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH3:9])[NH:10][C:11]([N:12]([c:13]2[cH:14][cH:15][c:16]([CH:19]3[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]3)[cH:17][cH:18]2)[CH2:25][c:26]2[cH:27][cH:28][c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34]2)=[O:35])[cH:6][cH:7]1.[ClH:57].[O:74]=[CH:75][N:76]([CH3:77])[CH3:78].[OH:36][n:37]1[c:38]2[c:39]([cH:40][cH:41][cH:42][cH:43]2)[n:44][n:45]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH3:9])[NH:10][C:11]([N:12]([c:13]2[cH:14][cH:15][c:16]([CH:19]3[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]3)[cH:17][cH:18]2)[CH2:25][c:26]2[cH:27][cH:28][c:29]([C:30](=[O:31])[NH:63][CH2:62][CH2:61][C:60]([O:59][CH3:58])=[O:64])[cH:33][cH:34]2)=[O:35])[cH:6][cH:7]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-cb0b084f225342d3ac76f2b5e8a32c71
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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