Ammonium → (4'-{1-ethyl-1-[4-(1-hydroxy-cyclopentylethynyl)-3-methyl-phenyl]-propyl}-3-fluoro-2'-methyl-biphenyl-4-yl)-acetic Acid

HRID 2135123Notes

Reaction equation

HRID 2135123 reaction equation
[CH3:3][O:4][C:5]([CH2:6][c:7]1[c:8]([F:40])[cH:9][c:10](-[c:13]2[c:14]([CH3:39])[cH:15][c:16]([C:19]([CH2:20][CH3:21])([c:22]3[cH:23][c:24]([CH3:36])[c:25]([C:28]#[C:29][C:30]4([OH:35])[CH2:31][CH2:32][CH2:33][CH2:34]4)[cH:26][cH:27]3)[CH2:37][CH3:38])[cH:17][cH:18]2)[cH:11][cH:12]1)=[O:41].[CH3:44][OH:45].[Cl-:42].[NH4+:43].[Na+:2].[OH-:1]>>[O:4]=[C:5]([CH2:6][c:7]1[c:8]([F:40])[cH:9][c:10](-[c:13]2[c:14]([CH3:39])[cH:15][c:16]([C:19]([CH2:20][CH3:21])([c:22]3[cH:23][c:24]([CH3:36])[c:25]([C:28]#[C:29][C:30]4([OH:35])[CH2:31][CH2:32][CH2:33][CH2:34]4)[cH:26][cH:27]3)[CH2:37][CH3:38])[cH:17][cH:18]2)[cH:11][cH:12]1)[OH:41]

Participants

7

Reactant 6

HCID 223AmmoniumHCID 312ChlorideHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 57708971(4'-{1-Ethyl-1-[4-(1-hydroxy-cyclopentylethynyl)-3-methyl-phenyl]-propyl}-3-fluoro-2'-methyl-biphenyl-4-yl)acetic acid methyl ester

Product 1

HCID 15942403(4'-{1-ethyl-1-[4-(1-hydroxy-cyclopentylethynyl)-3-methyl-phenyl]-propyl}-3-fluoro-2'-methyl-biphenyl-4-yl)-acetic Acid

Sources & evidence

ORD record
ord-e8ba0fcbdc3b4efea9b0a5a67ac67d24
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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