Phenylacetylene → [4-(3-Isobutoxy-5-phenylethynyl-benzylsulfanyl)-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]([CH3:27])[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].[CH2:37]([O:38][C:39](=[O:40])[CH2:41][O:42][c:43]1[cH:44][cH:45][c:46]([S:47][c:48]2[cH:49][c:50]([C:51]#[C:52][c:53]3[cH:54][cH:55][c:56]([CH2:57][OH:58])[cH:59][cH:60]3)[cH:61][c:62]([O:63][CH2:64][CH2:65][c:66]3[cH:67][cH:68][c:69]([Cl:70])[cH:71][cH:72]3)[cH:73]2)[cH:74][c:75]1[CH3:76])[CH3:77].[c:29]1([C:35]#[CH:36])[cH:30][cH:31][cH:32][cH:33][cH:34]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]([C:36]#[C:35][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]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
Product 1
Sources & evidence
- ORD record
- ord-8581a7a323cb4f84929cf5d0b0a2bfec
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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