Ethanol → 3-{[(4-{[1-(5-Methoxy-3-methyl-1-benzofuran-2-yl)-3-methylbutyl]amino}phenyl)carbonyl]amino}propanoic acid
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([c:8]([CH3:33])[c:9]([CH:11]([CH2:12][CH:13]([CH3:14])[CH3:15])[NH:16][c:17]3[cH:18][cH:19][c:20]([C:23](=[O:24])[NH:25][CH2:26][CH2:27][C:28](=[O:29])[O:30][CH2:31][CH3:32])[cH:21][cH:22]3)[o:10]2)[cH:34]1.[CH3:42][CH2:43][OH:44].[Na+:41].[O:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1.[OH-:40]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([c:8]([CH3:33])[c:9]([CH:11]([CH2:12][CH:13]([CH3:14])[CH3:15])[NH:16][c:17]3[cH:18][cH:19][c:20]([C:23](=[O:24])[NH:25][CH2:26][CH2:27][C:28](=[O:29])[OH:30])[cH:21][cH:22]3)[o:10]2)[cH:34]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-e0a86da5307a4dc5bf6997e5c01141de
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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