Phenylacetylene → {4-[3-(2-Ethyl-butoxy)-5-phenylethynyl-phenylsulfanyl]-2-methyl-phenoxy}-acetic acid ethyl ester
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:28])[cH:9][c:10]([S:13][c:14]2[cH:15][c:16]([Br:27])[cH:17][c:18]([O:20][CH2:21][CH:22]([CH2:23][CH3:24])[CH2:25][CH3:26])[cH:19]2)[cH:11][cH:12]1)=[O:29].[CH2:38]([O:39][C:40](=[O:41])[CH2:42][O:43][c:44]1[cH:45][cH:46][c:47]([S:48][c:49]2[cH:50][c:51]([C:52]#[C:53][c:54]3[cH:55][cH:56][c:57]([CH2:58][OH:59])[cH:60][cH:61]3)[cH:62][c:63]([O:64][CH2:65][CH2:66][c:67]3[cH:68][cH:69][c:70]([Cl:71])[cH:72][cH:73]3)[cH:74]2)[cH:75][c:76]1[CH3:77])[CH3:78].[c:30]1([C:36]#[CH:37])[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:28])[cH:9][c:10]([S:13][c:14]2[cH:15][c:16]([C:37]#[C:36][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[cH:17][c:18]([O:20][CH2:21][CH:22]([CH2:23][CH3:24])[CH2:25][CH3:26])[cH:19]2)[cH:11][cH:12]1)=[O:29]Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-1d8bb5eb4c6e48cbbfbc91776518e5e9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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