Tetrahydrofuran → Methyl 2-[2-methyl-4-[3-(4-methylphenyl)-3-[4-(2-pyridin-2-ylethynyl)phenyl]prop-2-enoxy]phenoxy]acetate
Reaction equation
[C:32](#[CH:33])[c:34]1[n:35][cH:36][cH:37][cH:38][cH:39]1.[CH3:1][c:2]1[c:3]([O:4][CH2:5][C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11][c:12]([O:14][CH2:15][CH:16]=[C:17]([c:18]2[cH:19][cH:20][c:21]([CH3:24])[cH:22][cH:23]2)[c:25]2[cH:26][cH:27][c:28]([I:31])[cH:29][cH:30]2)[cH:13]1.[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[Cu:129][I:130].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[Pd:52].[c:110]1([P:111]([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)[cH:124][cH:125][cH:126][cH:127][cH:128]1.[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.[c:91]1([P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[cH:105][cH:106][cH:107][cH:108][cH:109]1>>[CH3:1][c:2]1[c:3]([O:4][CH2:5][C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11][c:12]([O:14][CH2:15][CH:16]=[C:17]([c:18]2[cH:19][cH:20][c:21]([CH3:24])[cH:22][cH:23]2)[c:25]2[cH:26][cH:27][c:28]([C:33]#[C:32][c:34]3[n:35][cH:36][cH:37][cH:38][cH:39]3)[cH:29][cH:30]2)[cH:13]1Participants
8
Reactant 7
HCID 8028Tetrahydrofuran
HCID 8471Triethylamine
HCID 11776Triphenylphosphine4×
HCID 23938Palladium
HCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)
HCID 137268Ethynylpyridine
HCID 123554747Methyl 2-[4-[3-(4-iodophenyl)-3-(4-methylphenyl)prop-2-enoxy]-2-methylphenoxy]acetateProduct 1
Sources & evidence
- ORD record
- ord-8287eb451e8f41618380fb0c0ed9fcb7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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