Ethanol → 2-{2-Butyl-5-[2-(5-methyl-2-phenyloxazol-4-yl)ethoxy]phenoxy)-2-methylpropionic acid

HRID 1555490Notes

Reaction equation

HRID 1555490 reaction equation
[C:46](=[O:47])([O-:48])[O-:49].[CH2:1]([O:2][C:3](=[O:4])[C:5]([O:6][c:7]1[cH:8][c:9]([OH:10])[cH:11][cH:12][c:13]1[CH2:14][CH2:15][CH2:16][CH3:17])([CH3:18])[CH3:19])[CH3:20].[CH2:52]([CH3:53])[O:54][C:55]([C:56]([CH3:57])([CH3:58])[O:59][c:60]1[c:61]([CH2:81][CH2:82][CH2:83][CH3:84])[cH:62][cH:63][c:64]([O:66][CH2:67][CH2:68][c:69]2[n:70][c:71](-[c:75]3[cH:76][cH:77][cH:78][cH:79][cH:80]3)[o:72][c:73]2[CH3:74])[cH:65]1)=[O:85].[CH3:21][c:22]1[o:23][c:24](-[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[n:31][c:32]1[CH2:33][CH2:34][O:35][S:36]([c:37]1[cH:38][cH:39][c:40]([CH3:41])[cH:42][cH:43]1)(=[O:44])=[O:45].[CH3:86][CH2:87][OH:88].[K+:50].[K+:51]>>[O:54]=[C:55]([C:56]([CH3:57])([CH3:58])[O:59][c:60]1[c:61]([CH2:81][CH2:82][CH2:83][CH3:84])[cH:62][cH:63][c:64]([O:66][CH2:67][CH2:68][c:69]2[n:70][c:71](-[c:75]3[cH:76][cH:77][cH:78][cH:79][cH:80]3)[o:72][c:73]2[CH3:74])[cH:65]1)[OH:85]

Participants

7

Reactant 6

HCID 702EthanolHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 120517392-(5-Methyl-2-phenyloxazol-4-yl)ethyl 4-methylbenzenesulfonateHCID 693102962-{2-Butyl-5-[2-(5-methyl-2-phenyloxazol-4-yl)ethoxy]phenoxy}-2-methylpropionic acid ethyl esterHCID 693120282-(2-Butyl-5-hydroxyphenoxy)-2-methylpropionic acid ethyl ester

Product 1

HCID 222611622-{2-Butyl-5-[2-(5-methyl-2-phenyloxazol-4-yl)ethoxy]phenoxy)-2-methylpropionic acid

Sources & evidence

ORD record
ord-c654529d7de9441abc2a8a3c5bffd196
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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