Hydrochloric Acid → 4-[[N-[1-(4-chlorophenyl)ethylcarbamoyl]-4-cyclohexylanilino]methyl]benzoic acid
Reaction equation
[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH2:10][N:11]([C:12](=[O:13])[NH:14][CH:15]([CH3:16])[c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[c:24]2[cH:25][cH:26][c:27]([CH:30]3[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]3)[cH:28][cH:29]2)[cH:8][cH:9]1)=[O:36].[CH3:40][CH2:41][OH:42].[ClH:39].[Na+:38].[OH-:37]>>[O:2]=[C:3]([c:4]1[cH:5][cH:6][c:7]([CH2:10][N:11]([C:12](=[O:13])[NH:14][CH:15]([CH3:16])[c:17]2[cH:18][cH:19][c:20]([Cl:23])[cH:21][cH:22]2)[c:24]2[cH:25][cH:26][c:27]([CH:30]3[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]3)[cH:28][cH:29]2)[cH:8][cH:9]1)[OH:36]Participants
6
Sources & evidence
- ORD record
- ord-b4d3866f514b429c9d63f418772f48e3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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