Ethanol → 3-{[(4-{[1-(5-Methoxy-3-methyl-1-benzofuran-2-yl)-5-(methylsulfanyl)pentyl]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]([CH3:35])[c:9]([CH:11]([CH2:12][CH2:13][CH2:14][CH2:15][S:16][CH3:17])[NH:18][c:19]3[cH:20][cH:21][c:22]([C:25](=[O:26])[NH:27][CH2:28][CH2:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])[cH:23][cH:24]3)[o:10]2)[cH:36]1.[CH3:44][CH2:45][OH:46].[Na+:43].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1.[OH-:42]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([c:8]([CH3:35])[c:9]([CH:11]([CH2:12][CH2:13][CH2:14][CH2:15][S:16][CH3:17])[NH:18][c:19]3[cH:20][cH:21][c:22]([C:25](=[O:26])[NH:27][CH2:28][CH2:29][C:30](=[O:31])[OH:32])[cH:23][cH:24]3)[o:10]2)[cH:36]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-78d2a54d40ae491db0ac8597bb06af20
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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