Ethanol → 3-[{[4-({[5-(Benzyloxy)-3-methyl-1-benzofuran-2-yl](cyclohexyl)methyl}amino)phenyl]carbonyl}(methyl)amino]-propanoic acid

HRID 92147Notes

Reaction equation

HRID 92147 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]2[c:13]([c:14]([CH3:42])[c:15]([CH:17]([CH:18]3[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]3)[NH:24][c:25]3[cH:26][cH:27][c:28]([C:31](=[O:32])[N:33]([CH2:34][CH2:35][C:36](=[O:37])[O:38][CH2:39][CH3:40])[CH3:41])[cH:29][cH:30]3)[o:16]2)[cH:43]1.[CH3:46][CH2:47][OH:48].[Na+:45].[OH-:44]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]2[c:13]([c:14]([CH3:42])[c:15]([CH:17]([CH:18]3[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23]3)[NH:24][c:25]3[cH:26][cH:27][c:28]([C:31](=[O:32])[N:33]([CH2:34][CH2:35][C:36](=[O:37])[OH:38])[CH3:41])[cH:29][cH:30]3)[o:16]2)[cH:43]1

Participants

5

Reactant 4

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 66777899HCID 66777899, compound

Product 1

HCID 667786133-[{[4-({[5-(Benzyloxy)-3-methyl-1-benzofuran-2-yl](cyclohexyl)methyl}amino)phenyl]carbonyl}(methyl)amino]-propanoic acid

Sources & evidence

ORD record
ord-f3ab49ac913a4530987fb076d49f11b4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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