Ethanol → 3-{[(4-{[1-(5-Methoxy-3-methyl-1-benzofuran-2-yl)heptyl]amino}phenyl)carbonyl](methyl)amino}propanoic acid
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([c:8]([CH3:36])[c:9]([CH:11]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[NH:18][c:19]3[cH:20][cH:21][c:22]([C:25](=[O:26])[N:27]([CH2:28][CH2:29][C:30](=[O:31])[O:32][CH2:33][CH3:34])[CH3:35])[cH:23][cH:24]3)[o:10]2)[cH:37]1.[CH3:45][CH2:46][OH:47].[Na+:44].[O:38]1[CH2:39][CH2:40][CH2:41][CH2:42]1.[OH-:43]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([c:8]([CH3:36])[c:9]([CH:11]([CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH3:17])[NH:18][c:19]3[cH:20][cH:21][c:22]([C:25](=[O:26])[N:27]([CH2:28][CH2:29][C:30](=[O:31])[OH:32])[CH3:35])[cH:23][cH:24]3)[o:10]2)[cH:37]1Participants
6
Sources & evidence
- ORD record
- ord-cb4a1a95df5f477aa2bd450255cadaf6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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