Ethanol → 3-{[(4-{[{5-[(6-Chloropyridin-3-yl)methoxy]-3-methyl-1-benzofuran-2-yl}(cyclohexyl)methyl]amino}phenyl)carbonyl](methyl)amino}-propanoic acid
Reaction equation
[CH3:47][CH2:48][OH:49].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]3[c:14]([c:15]([CH3:43])[c:16]([CH:18]([CH:19]4[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]4)[NH:25][c:26]4[cH:27][cH:28][c:29]([C:32](=[O:33])[N:34]([CH2:35][CH2:36][C:37](=[O:38])[O:39][CH2:40][CH3:41])[CH3:42])[cH:30][cH:31]4)[o:17]3)[cH:44]2)[cH:6][n:7]1.[Na+:46].[OH-:45]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]3[c:14]([c:15]([CH3:43])[c:16]([CH:18]([CH:19]4[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24]4)[NH:25][c:26]4[cH:27][cH:28][c:29]([C:32](=[O:33])[N:34]([CH2:35][CH2:36][C:37](=[O:38])[OH:39])[CH3:42])[cH:30][cH:31]4)[o:17]3)[cH:44]2)[cH:6][n:7]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-be75d637b56f4fcd8403dc50bf32ba99
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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