Methyl 3-Hydroxyphenylacetate → Rac (3-{1-phenyl-2-[3-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-phenoxy]-ethoxy}-phenyl)-acetic acid methyl ester

HRID 2324004Notes

Reaction equation

HRID 2324004 reaction equation
[CH3:36][O:37][C:38](=[O:39])[CH2:40][c:41]1[cH:42][cH:43][cH:44][c:45]([OH:46])[cH:47]1.[CH3:48][O:49][C:50]([CH2:51][c:52]1[cH:53][c:54]([O:58][CH:59]([CH2:60][O:61][c:62]2[cH:63][c:64]([C:68]([C:69]([F:70])([F:71])[F:72])([C:73]([F:74])([F:75])[F:76])[O:77][CH2:78][c:79]3[cH:80][cH:81][c:82]([O:83][CH3:84])[cH:85][cH:86]3)[cH:65][cH:66][cH:67]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:55][cH:56][cH:57]1)=[O:93].[c:1]1([CH:2]([OH:3])[CH2:4][O:5][c:6]2[cH:7][cH:8][cH:9][c:10]([C:11]([O:12][CH2:13][c:14]3[cH:15][cH:16][c:17]([O:18][CH3:19])[cH:20][cH:21]3)([C:22]([F:23])([F:24])[F:25])[C:26]([F:27])([F:28])[F:29])[cH:30]2)[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[CH3:48][O:49][C:50]([CH2:51][c:52]1[cH:53][c:54]([O:58][CH:59]([CH2:60][O:61][c:62]2[cH:63][c:64]([C:68]([C:69]([F:70])([F:71])[F:72])([C:73]([F:74])([F:75])[F:76])[OH:77])[cH:65][cH:66][cH:67]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:55][cH:56][cH:57]1)=[O:93]

Participants

4

Reactant 3

HCID 39129Methyl 3-HydroxyphenylacetateHCID 87605098Rac [3-(1-phenyl-2-{3-[2,2,2-trifluoro-1-(4-methoxy-benzyloxy)-1-trifluoromethyl-ethyl]-phenoxy}-ethoxy)-phenyl]-acetic acid methyl esterHCID 87605889Rac 1-phenyl-2-{3-[2,2,2-trifluoro-1-(4-methoxy-benzyloxy)-1-trifluoromethyl-ethyl]-phenoxy}-ethanol

Product 1

HCID 11613415Rac (3-{1-phenyl-2-[3-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-phenoxy]-ethoxy}-phenyl)-acetic acid methyl ester

Sources & evidence

ORD record
ord-01f59c9a63184dc6a1a2243f23a6f236
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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