M-Cresol → 2-Methyl-2-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-2-m-tolyloxymethyl-phenoxy}-propionic acid

HRID 1233309Notes

Reaction equation

HRID 1233309 reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[CH2:1]([O:2][C:3](=[O:4])[C:5]([O:6][c:7]1[cH:8][cH:9][c:10]([O:11][CH2:12][CH2:13][c:14]2[n:15][c:16](-[c:17]3[cH:18][cH:19][cH:20][cH:21][cH:22]3)[o:23][c:24]2[CH3:25])[cH:26][c:27]1[CH2:28][Br:29])([CH3:30])[CH3:31])[CH3:32].[CH2:47]([CH3:48])[O:49][C:50]([C:51]([CH3:52])([O:53][c:54]1[c:55]([CH2:75][O:76][c:77]2[cH:78][c:79]([CH3:83])[cH:80][cH:81][cH:82]2)[cH:56][c:57]([O:60][CH2:61][CH2:62][c:63]2[n:64][c:65](-[c:69]3[cH:70][cH:71][cH:72][cH:73][cH:74]3)[o:66][c:67]2[CH3:68])[cH:58][cH:59]1)[CH3:84])=[O:85].[CH3:33][c:34]1[cH:35][c:36]([OH:37])[cH:38][cH:39][cH:40]1.[CH3:88][CH2:89][OH:90].[K+:45].[K+:46].[Na+:87].[OH-:86]>>[O:49]=[C:50]([C:51]([CH3:52])([O:53][c:54]1[c:55]([CH2:75][O:76][c:77]2[cH:78][c:79]([CH3:83])[cH:80][cH:81][cH:82]2)[cH:56][c:57]([O:60][CH2:61][CH2:62][c:63]2[n:64][c:65](-[c:69]3[cH:70][cH:71][cH:72][cH:73][cH:74]3)[o:66][c:67]2[CH3:68])[cH:58][cH:59]1)[CH3:84])[OH:85]

Participants

9

Reactant 8

HCID 342M-CresolHCID 702EthanolHCID 813Potassium Cation2×HCID 923Sodium ionHCID 961HydroxideHCID 19660Carbonate IonHCID 235900072-{2-Bromomethyl-4-[2-(5-methyl-2-phenyloxazol-4-yl)ethoxy]phenoxy}-2-methylpropionic acid ethyl esterHCID 692322812-Methyl-2-{4-[2-(5-methyl-2-phenyloxazol-4-yl)ethoxy]-2-m-tolyloxymethylphenoxy}propionic acid ethyl ester

Product 1

HCID 101640202-Methyl-2-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-2-m-tolyloxymethyl-phenoxy}-propionic acid

Sources & evidence

ORD record
ord-33fa2c1a0e5f4e7dbbdfd39c116b3ac1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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