Dimethylformamide → (2-Methyl-4-{3-[3-(3-piperidin-1-yl-prop-1-ynyl)-5-(4-trifluoromethyl-phenylethynyl)-phenyl]-prop-2-ynyloxy}-phenoxy)-acetic acid methyl ester

HRID 2340827Notes

Reaction equation

HRID 2340827 reaction equation
[C:1](#[CH:2])[c:3]1[cH:4][cH:5][c:6]([C:9]([F:10])([F:11])[F:12])[cH:7][cH:8]1.[CH3:13][O:14][C:15]([CH2:16][O:17][c:18]1[c:19]([CH3:44])[cH:20][c:21]([O:24][CH2:25][C:26]#[C:27][c:28]2[cH:29][c:30]([Br:43])[cH:31][c:32]([C:34]#[C:35][CH2:36][N:37]3[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]3)[cH:33]2)[cH:22][cH:23]1)=[O:45].[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[Cu:135][I:136].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50].[cH:58]1[cH:59][cH:60][c:61]([P:62]([Pd:63]([P:64]([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([P:83]([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[P:102]([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)([c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[cH:133][cH:134]1>>[C:1](#[C:2][c:30]1[cH:29][c:28]([C:27]#[C:26][CH2:25][O:24][c:21]2[cH:20][c:19]([CH3:44])[c:18]([O:17][CH2:16][C:15]([O:14][CH3:13])=[O:45])[cH:23][cH:22]2)[cH:33][c:32]([C:34]#[C:35][CH2:36][N:37]2[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[cH:31]1)[c:3]1[cH:4][cH:5][c:6]([C:9]([F:10])([F:11])[F:12])[cH:7][cH:8]1

Participants

7

Reactant 6

HCID 6228DimethylformamideHCID 8471TriethylamineHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 43482951-Ethynyl-4-(trifluoromethyl)benzeneHCID 67157959(4-{3-[3-Bromo-5-(3-piperidin-1-yl-prop-1-ynyl)-phenyl]-prop-2-ynyloxy}-2-methyl-phenoxy)-acetic acid methyl esterHCID 178420554HCID 178420554, compound

Product 1

HCID 67158106(2-Methyl-4-{3-[3-(3-piperidin-1-yl-prop-1-ynyl)-5-(4-trifluoromethyl-phenylethynyl)-phenyl]-prop-2-ynyloxy}-phenoxy)-acetic acid methyl ester

Sources & evidence

ORD record
ord-8b91ba2bcd0449e681d4861b2e501493
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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