Benzene → Methyl 2-[4-[3-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-3-(2-methyl-1-benzofuran-5-yl)prop-2-enoxy]-2-methylphenoxy]acetate

HRID 2156165Notes

Reaction equation

HRID 2156165 reaction equation
[CH3:1][N:2]([CH3:3])[CH2:4][C:5]#[CH:6].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[Cu:136][I:137].[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]3[c:34]([o:35][c:36]([CH3:38])[cH:37]3)[cH:39][cH:40]2)[cH:12][cH:13]1.[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[cH:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[cH:59]1[cH:60][cH:61][c:62]([P:63]([Pd:64]([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[P:103]([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)([c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[c:128]2[cH:129][cH:130][cH:131][cH:132][cH:133]2)[cH:134][cH:135]1>>[CH3:1][N:2]([CH3:3])[CH2:4][C:5]#[C:6][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]3[c:34]([o:35][c:36]([CH3:38])[cH:37]3)[cH:39][cH:40]2)[cH:12][cH:13]1

Participants

8

Reactant 7

HCID 241BenzeneHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 81643N,N-DimethylpropargylamineHCID 91225528Methyl 2-[4-[3-(4-iodophenyl)-3-(2-methyl-1-benzofuran-5-yl)prop-2-enoxy]-2-methylphenoxy]acetateHCID 178420554HCID 178420554, compound

Product 1

HCID 91426349Methyl 2-[4-[3-[4-[3-(dimethylamino)prop-1-ynyl]phenyl]-3-(2-methyl-1-benzofuran-5-yl)prop-2-enoxy]-2-methylphenoxy]acetate

Sources & evidence

ORD record
ord-1b710016a5e948d7a3ca8aaea256f2e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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