1-Ethynyl-4-(methanesulfonyl)benzene → {4-[3-(4-Methanesulfonyl-phenylethynyl)-5-(3-trifluoromethyl-pyridin-2-yloxy)-phenylsulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester

HRID 2126830Notes

Reaction equation

HRID 2126830 reaction equation
[C:34](#[CH:35])[c:36]1[cH:37][cH:38][c:39]([S:42](=[O:43])(=[O:44])[CH3:45])[cH:40][cH:41]1.[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:32])[cH:9][c:10]([S:13][c:14]2[cH:15][c:16]([Br:31])[cH:17][c:18]([O:20][c:21]3[n:22][cH:23][cH:24][cH:25][c:26]3[C:27]([F:28])([F:29])[F:30])[cH:19]2)[cH:11][cH:12]1)=[O:33].[CH2:46]([O:47][C:48](=[O:49])[CH2:50][O:51][c:52]1[cH:53][cH:54][c:55]([S:56][c:57]2[cH:58][c:59]([C:60]#[C:61][c:62]3[cH:63][cH:64][c:65]([CH2:66][OH:67])[cH:68][cH:69]3)[cH:70][c:71]([O:72][CH2:73][CH2:74][c:75]3[cH:76][cH:77][c:78]([Cl:79])[cH:80][cH:81]3)[cH:82]2)[cH:83][c:84]1[CH3:85])[CH3:86]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:32])[cH:9][c:10]([S:13][c:14]2[cH:15][c:16]([C:35]#[C:34][c:36]3[cH:37][cH:38][c:39]([S:42](=[O:43])(=[O:44])[CH3:45])[cH:40][cH:41]3)[cH:17][c:18]([O:20][c:21]3[n:22][cH:23][cH:24][cH:25][c:26]3[C:27]([F:28])([F:29])[F:30])[cH:19]2)[cH:11][cH:12]1)=[O:33]

Participants

4

Reactant 3

HCID 220426121-Ethynyl-4-(methanesulfonyl)benzeneHCID 57791906HCID 57791906, compoundHCID 67024299{4-[3-[2-(4-Chloro-phenyl)-ethoxy]-5-(4-hydroxymethyl-phenylethynyl)-phenylsulfanyl]-2-methylphenoxy}-acetic acid ethyl ester

Product 1

HCID 67171018{4-[3-(4-Methanesulfonyl-phenylethynyl)-5-(3-trifluoromethyl-pyridin-2-yloxy)-phenylsulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester

Sources & evidence

ORD record
ord-4284167e37044f89890ba84c674096c7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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