Ethanol → 3-{4-[2-(2-Cyclohexyl-5-methyl-oxazol-4-yl)-ethoxy]-phenyl}-2-methyl-2-(3-thiophen-3-yl-phenoxy)-propionic Acid

HRID 2311367Notes

Reaction equation

HRID 2311367 reaction equation
[CH2:3]([CH3:4])[O:5][C:6]([C:7]([CH2:8][c:9]1[cH:10][cH:11][c:12]([O:15][CH2:16][CH2:17][c:18]2[n:19][c:20]([CH:24]3[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]3)[o:21][c:22]2[CH3:23])[cH:13][cH:14]1)([O:30][c:31]1[cH:32][c:33](-[c:37]2[cH:38][s:39][cH:40][cH:41]2)[cH:34][cH:35][cH:36]1)[CH3:42])=[O:43].[CH2:44]([O:45][C:46](=[O:47])[C:48]([CH3:49])([O:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[CH2:57][c:58]1[cH:59][cH:60][c:61]([O:62][CH2:63][CH2:64][c:65]2[n:66][c:67]([CH:68]3[CH2:69][CH2:70][CH2:71][CH2:72][CH2:73]3)[o:74][c:75]2[CH3:76])[cH:77][cH:78]1)[CH3:79].[CH3:80][CH2:81][OH:82].[Na+:2].[OH-:1]>>[O:5]=[C:6]([C:7]([CH2:8][c:9]1[cH:10][cH:11][c:12]([O:15][CH2:16][CH2:17][c:18]2[n:19][c:20]([CH:24]3[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]3)[o:21][c:22]2[CH3:23])[cH:13][cH:14]1)([O:30][c:31]1[cH:32][c:33](-[c:37]2[cH:38][s:39][cH:40][cH:41]2)[cH:34][cH:35][cH:36]1)[CH3:42])[OH:43]

Participants

6

Reactant 5

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 208231423-(4-[2-(2-Cyclohexyl-5-methyl-oxazol-4-yl)-ethoxy]-phenyl}-2-methyl-2-(3-thiophen-3-yl-phenoxy)-propionic acid ethyl esterHCID 208231432-Methyl-3-(4-{2-[5-methyl-2-cyclohexyl-oxazol-4-yl]-ethoxy}-phenyl)-2-phenoxypropionic Acid Ethyl Ester

Product 1

HCID 223399763-{4-[2-(2-Cyclohexyl-5-methyl-oxazol-4-yl)-ethoxy]-phenyl}-2-methyl-2-(3-thiophen-3-yl-phenoxy)-propionic Acid

Sources & evidence

ORD record
ord-baec85b374af470c9f569f71d012537a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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