Ethanol → 3-({[4-({cyclohexyl[2-ethyl-5-(tetrahydro-2H-thiopyran-4-yl)thiophen-3-yl]methyl}amino)phenyl]carbonyl}amino)propanoic acid
Reaction equation
[CH3:45][CH2:46][OH:47].[CH:1]1([CH:7]([c:8]2[c:9]([CH2:19][CH3:20])[s:10][c:11]([CH:13]3[CH2:14][CH2:15][S:16][CH2:17][CH2:18]3)[cH:12]2)[NH:21][c:22]2[cH:23][cH:24][c:25]([C:28](=[O:29])[NH:30][CH2:31][CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[cH:26][cH:27]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Na+:44].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH-:43]>>[CH:1]1([CH:7]([c:8]2[c:9]([CH2:19][CH3:20])[s:10][c:11]([CH:13]3[CH2:14][CH2:15][S:16][CH2:17][CH2:18]3)[cH:12]2)[NH:21][c:22]2[cH:23][cH:24][c:25]([C:28](=[O:29])[NH:30][CH2:31][CH2:32][C:33](=[O:34])[OH:35])[cH:26][cH:27]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-db679ed4d28341c7900cb5c9d91968fe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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