M-Cresol → 2-{2-Bromomethyl-4-[2-(5-methyl-2-phenyloxazol-4-yl)ethoxy]phenoxy}-2-methylpropionic acid

HRID 209358Notes

Reaction equation

HRID 209358 reaction equation
[C:41](=[O:42])([O-:43])[O-:44].[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[c:10]([CH2:30][Br:31])[cH:11][c:12]([O:15][CH2:16][CH2:17][c:18]2[n:19][c:20](-[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[o:21][c:22]2[CH3:23])[cH:13][cH:14]1)=[O:32].[CH2:47]([O:48][C:49](=[O:50])[C:51]([CH3:52])([O:53][c:54]1[cH:55][cH:56][c:57]([O:58][CH2:59][CH2:60][c:61]2[n:62][c:63](-[c:64]3[cH:65][cH:66][cH:67][cH:68][cH:69]3)[o:70][c:71]2[CH3:72])[cH:73][c:74]1[CH2:75][O:76][c:77]1[cH:78][c:79]([CH3:80])[cH:81][cH:82][cH:83]1)[CH3:84])[CH3:85].[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:3]=[C:4]([C:5]([CH3:6])([CH3:7])[O:8][c:9]1[c:10]([CH2:30][Br:31])[cH:11][c:12]([O:15][CH2:16][CH2:17][c:18]2[n:19][c:20](-[c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[o:21][c:22]2[CH3:23])[cH:13][cH:14]1)[OH:32]

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 222611642-{2-Bromomethyl-4-[2-(5-methyl-2-phenyloxazol-4-yl)ethoxy]phenoxy}-2-methylpropionic acid

Sources & evidence

ORD record
ord-70919108459c40dca24c724918d3215d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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