Ethanol → 3-{[(4-{[1-(5-Chloro-3-methyl-1-benzofuran-2-yl)-3-methylbutyl]amino}phenyl)carbonyl](methyl)amino}propanoic acid
Reaction equation
[CH3:42][CH2:43][OH:44].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([c:7]([CH3:33])[c:8]([CH:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[NH:15][c:16]3[cH:17][cH:18][c:19]([C:22](=[O:23])[N:24]([CH2:25][CH2:26][C:27](=[O:28])[O:29][CH2:30][CH3:31])[CH3:32])[cH:20][cH:21]3)[o:9]2)[cH:34]1.[Na+:41].[O:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1.[OH-:40]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([c:7]([CH3:33])[c:8]([CH:10]([CH2:11][CH:12]([CH3:13])[CH3:14])[NH:15][c:16]3[cH:17][cH:18][c:19]([C:22](=[O:23])[N:24]([CH2:25][CH2:26][C:27](=[O:28])[OH:29])[CH3:32])[cH:20][cH:21]3)[o:9]2)[cH:34]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-fc8fe8de238048e3980b13d5bf903d55
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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