Diisopropylamine → 1-(4'-Decyloxybiphenyl-4-yl)-2-(1-hydroxy-1-methylethyl)ethyne

HRID 141640Notes

Reaction equation

HRID 141640 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[cH:12][cH:13]2)[cH:6][cH:7]1.[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:25][C:26]([CH3:27])([C:28]#[CH:29])[OH:30].[CH:31]([NH:32][CH:33]([CH3:34])[CH3:35])([CH3:36])[CH3:37].[Cu:43][I:44].[cH:45]1[cH:46][cH:47][c:48]([P:49]([Pd:50]([P:51]([c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)[c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([P:70]([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)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[P:89]([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)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[cH:120][cH:121]1>>[c:2]1([C:29]#[C:28][C:26]([CH3:25])([CH3:27])[OH:30])[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([O:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[cH:12][cH:13]2)[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 7912DiisopropylamineHCID 8028TetrahydrofuranHCID 82582-Methyl-3-butyn-2-olHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 106680514-Bromo-4'-decyloxybiphenylHCID 178420554HCID 178420554, compound

Product 1

HCID 183283931-(4'-Decyloxybiphenyl-4-yl)-2-(1-hydroxy-1-methylethyl)ethyne

Sources & evidence

ORD record
ord-d406532773da4f91b2342af12363b0aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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