Hexane → 2-[3-(4-Methoxycarbonylmethyl-phenylethynyl)-phenyl]-2-methyl-propionic acid ethyl ester
Reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[c:8]1[cH:9][c:10]([C:14]#[CH:15])[cH:11][cH:12][cH:13]1)=[O:16].[CH2:29]([N:30]([CH2:31][CH3:32])[CH2:33][CH3:34])[CH3:35].[CH3:17][O:18][C:19]([CH2:20][c:21]1[cH:22][cH:23][c:24]([I:27])[cH:25][cH:26]1)=[O:28].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47].[Cu:48][I:49].[Pd:50]([Cl:51])[Cl:52].[c:53]1([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:67][cH:68][cH:69][cH:70][cH:71]1.[c:72]1([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[cH:86][cH:87][cH:88][cH:89][cH:90]1>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH3:6])([CH3:7])[c:8]1[cH:9][c:10]([C:14]#[C:15][c:24]2[cH:23][cH:22][c:21]([CH2:20][C:19]([O:18][CH3:17])=[O:28])[cH:26][cH:25]2)[cH:11][cH:12][cH:13]1)=[O:16]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-07f1bed0e06e4ca5aae90b7e33984bb0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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