1-Ethynyl-4-fluorobenzene → {4-[3-(4-Fluoro-phenylethynyl)-5-(4-methanesulfonyl-benzyloxy)-phenyl-sulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester

HRID 2335434Notes

Reaction equation

HRID 2335434 reaction equation
[C:35](#[CH:36])[c:37]1[cH:38][cH:39][c:40]([F:43])[cH:41][cH:42]1.[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:33])[cH:9][c:10]([S:13][c:14]2[cH:15][c:16]([Br:32])[cH:17][c:18]([O:20][CH2:21][c:22]3[cH:23][cH:24][c:25]([S:28](=[O:29])(=[O:30])[CH3:31])[cH:26][cH:27]3)[cH:19]2)[cH:11][cH:12]1)=[O:34].[CH2:44]([O:45][C:46](=[O:47])[CH2:48][O:49][c:50]1[cH:51][cH:52][c:53]([S:54][c:55]2[cH:56][c:57]([C:58]#[C:59][c:60]3[cH:61][cH:62][c:63]([CH2:64][OH:65])[cH:66][cH:67]3)[cH:68][c:69]([O:70][CH2:71][CH2:72][c:73]3[cH:74][cH:75][c:76]([Cl:77])[cH:78][cH:79]3)[cH:80]2)[cH:81][c:82]1[CH3:83])[CH3:84]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:33])[cH:9][c:10]([S:13][c:14]2[cH:15][c:16]([C:36]#[C:35][c:37]3[cH:38][cH:39][c:40]([F:43])[cH:41][cH:42]3)[cH:17][c:18]([O:20][CH2:21][c:22]3[cH:23][cH:24][c:25]([S:28](=[O:29])(=[O:30])[CH3:31])[cH:26][cH:27]3)[cH:19]2)[cH:11][cH:12]1)=[O:34]

Participants

4

Reactant 3

HCID 5226271-Ethynyl-4-fluorobenzeneHCID 57791903{4-[3-Bromo-5-(4-methanesulfonyl-benzyloxy)phenylsulfanyl]-2-methyl-phenoxy}-acetic acid ethyl esterHCID 67024299{4-[3-[2-(4-Chloro-phenyl)-ethoxy]-5-(4-hydroxymethyl-phenylethynyl)-phenylsulfanyl]-2-methylphenoxy}-acetic acid ethyl ester

Product 1

HCID 67169843{4-[3-(4-Fluoro-phenylethynyl)-5-(4-methanesulfonyl-benzyloxy)-phenyl-sulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester

Sources & evidence

ORD record
ord-64f31dc126944c00a1a81e760249d0ad
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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