Ethanol → 3-{[(4-{[2-Ethyl-1-(5-methoxy-3-methyl-1-benzofuran-2-yl)butyl]amino}phenyl)carbonyl](methyl)amino}propanoic acid
Reaction equation
[CH2:1]([CH3:2])[CH:3]([CH:4]([c:5]1[o:6][c:7]2[c:8]([c:9]1[CH3:10])[cH:11][c:12]([O:15][CH3:16])[cH:13][cH:14]2)[NH:17][c:18]1[cH:19][cH:20][c:21]([C:24](=[O:25])[N:26]([CH2:27][CH2:28][C:29](=[O:30])[O:31][CH2:32][CH3:33])[CH3:34])[cH:22][cH:23]1)[CH2:35][CH3:36].[CH3:44][CH2:45][OH:46].[Na+:43].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1.[OH-:42]>>[CH2:1]([CH3:2])[CH:3]([CH:4]([c:5]1[o:6][c:7]2[c:8]([c:9]1[CH3:10])[cH:11][c:12]([O:15][CH3:16])[cH:13][cH:14]2)[NH:17][c:18]1[cH:19][cH:20][c:21]([C:24](=[O:25])[N:26]([CH2:27][CH2:28][C:29](=[O:30])[OH:31])[CH3:34])[cH:22][cH:23]1)[CH2:35][CH3:36]Participants
6
Sources & evidence
- ORD record
- ord-a77c43b0ac7740f09ec285ffa3971055
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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