Ethanol → 3-[{[5-({Cyclohexyl[5-(4-fluorophenyl)-2-methylfuran-3-yl]methyl}amino)pyridin-2-yl]carbonyl}(methyl)amino]propanoic acid

HRID 685169Notes

Reaction equation

HRID 685169 reaction equation
[CH3:46][CH2:47][OH:48].[CH:1]1([CH:7]([c:8]2[c:9]([CH3:20])[o:10][c:11](-[c:13]3[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]3)[cH:12]2)[NH:21][c:22]2[cH:23][cH:24][c:25]([C:28](=[O:29])[N:30]([CH2:31][CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[CH3:38])[n:26][cH:27]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Li+:44].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH-:45]>>[CH:1]1([CH:7]([c:8]2[c:9]([CH3:20])[o:10][c:11](-[c:13]3[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]3)[cH:12]2)[NH:21][c:22]2[cH:23][cH:24][c:25]([C:28](=[O:29])[N:30]([CH2:31][CH2:32][C:33](=[O:34])[OH:35])[CH3:38])[n:26][cH:27]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

6

Reactant 5

HCID 702EthanolHCID 961HydroxideHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 68512571HCID 68512571, compound

Product 1

HCID 426101933-[{[5-({Cyclohexyl[5-(4-fluorophenyl)-2-methylfuran-3-yl]methyl}amino)pyridin-2-yl]carbonyl}(methyl)amino]propanoic acid

Sources & evidence

ORD record
ord-594eace00e7e4ae9a2330f75448dcda3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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