1-Ethynyl-4-(methanesulfonyl)benzene → HCID 67024275, compound

HRID 2142511Notes

Reaction equation

HRID 2142511 reaction equation
[C:29](#[CH:30])[c:31]1[cH:32][cH:33][c:34]([S:37](=[O:38])(=[O:39])[CH3:40])[cH:35][cH:36]1.[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:27])[cH:9][c:10]([S:13][CH2:14][c:15]2[cH:16][c:17]([Br:26])[cH:18][c:19]([O:21][CH2:22][CH:23]([CH3:24])[CH3:25])[cH:20]2)[cH:11][cH:12]1)=[O:28].[CH2:41]([O:42][C:43](=[O:44])[CH2:45][O:46][c:47]1[cH:48][cH:49][c:50]([S:51][c:52]2[cH:53][c:54]([C:55]#[C:56][c:57]3[cH:58][cH:59][c:60]([CH2:61][OH:62])[cH:63][cH:64]3)[cH:65][c:66]([O:67][CH2:68][CH2:69][c:70]3[cH:71][cH:72][c:73]([Cl:74])[cH:75][cH:76]3)[cH:77]2)[cH:78][c:79]1[CH3:80])[CH3:81]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:27])[cH:9][c:10]([S:13][CH2:14][c:15]2[cH:16][c:17]([C:30]#[C:29][c:31]3[cH:32][cH:33][c:34]([S:37](=[O:38])(=[O:39])[CH3:40])[cH:35][cH:36]3)[cH:18][c:19]([O:21][CH2:22][CH:23]([CH3:24])[CH3:25])[cH:20]2)[cH:11][cH:12]1)=[O:28]

Participants

4

Reactant 3

HCID 220426121-Ethynyl-4-(methanesulfonyl)benzeneHCID 67024290HCID 67024290, compoundHCID 67024299{4-[3-[2-(4-Chloro-phenyl)-ethoxy]-5-(4-hydroxymethyl-phenylethynyl)-phenylsulfanyl]-2-methylphenoxy}-acetic acid ethyl ester

Product 1

HCID 67024275HCID 67024275, compound

Sources & evidence

ORD record
ord-54ba82d9fc40424082ddc9e0bf30d14a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

Loading…