Tetrahydrofuran → Methyl 2-[4-[3-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enoxy]-2-methylphenoxy]acetate
Reaction equation
[CH3:1][N:2]([CH2:3][C:4]#[CH:5])[CH3:6].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[Cu:53][I:54].[I:7][c:8]1[cH:9][cH:10][c:11]([C:14](=[CH:15][CH2:16][O:17][c:18]2[cH:19][c:20]([CH3:30])[c:21]([O:22][CH2:23][C:24](=[O:25])[O:26][CH3:27])[cH:28][cH:29]2)[c:31]2[cH:32][c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]2)[cH:12][cH:13]1.[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[CH3:1][N:2]([CH2:3][C:4]#[C:5][c:8]1[cH:9][cH:10][c:11]([C:14](=[CH:15][CH2:16][O:17][c:18]2[cH:19][c:20]([CH3:30])[c:21]([O:22][CH2:23][C:24](=[O:25])[O:26][CH3:27])[cH:28][cH:29]2)[c:31]2[cH:32][c:33]([C:37]([F:38])([F:39])[F:40])[cH:34][cH:35][cH:36]2)[cH:12][cH:13]1)[CH3:6]Participants
7
Reactant 6
HCID 8028Tetrahydrofuran
HCID 8471Triethylamine
HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)
HCID 81643N,N-Dimethylpropargylamine
HCID 90997013Methyl 2-[4-[3-(4-iodophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enoxy]-2-methylphenoxy]acetate
HCID 178420554HCID 178420554, compoundProduct 1
Sources & evidence
- ORD record
- ord-299a3aa491fc4e00b57a8e18e77346ed
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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