Hexane → (3-tert-Butyl-phenylethynyl)-trimethyl-silane

HRID 187027Notes

Reaction equation

HRID 187027 reaction equation
[C:9]([CH3:10])([CH3:11])([CH3:12])[c:13]1[cH:14][c:15]([O:19][S:20]([C:21]([F:22])([F:23])[F:24])(=[O:25])=[O:26])[cH:16][cH:17][cH:18]1.[CH2:27]([N:28]([CH2:29][CH3:30])[CH2:31][CH3:32])[CH3:33].[CH3:34][Si:35]([CH3:36])([CH3:37])[C:38]#[CH:39].[CH3:40][CH2:41][CH2:42][CH2:43][CH2:44][CH3:45].[CH3:89][CH2:90][O:91][C:92](=[O:93])[CH3:94].[Cu:46][I:47].[OH:1][S:2]([C:3]([F:4])([F:5])[F:6])(=[O:7])=[O:8].[Pd:48]([Cl:49])[Cl:50].[c:51]1([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[cH:65][cH:66][cH:67][cH:68][cH:69]1.[c:70]1([P:71]([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)[cH:84][cH:85][cH:86][cH:87][cH:88]1>>[C:9]([CH3:10])([CH3:11])([CH3:12])[c:13]1[cH:14][c:15]([C:39]#[C:38][Si:35]([CH3:34])([CH3:36])[CH3:37])[cH:16][cH:17][cH:18]1

Participants

10

Reactant 9

HCID 8058HexaneHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 11776Triphenylphosphine2×HCID 24290Palladium ChlorideHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 62406Trifluoromethanesulfonic acidHCID 66111TrimethylsilylacetyleneHCID 22261847HCID 22261847, compound

Product 1

HCID 14989665(3-tert-Butyl-phenylethynyl)-trimethyl-silane

Sources & evidence

ORD record
ord-528c464e572c483c907fd744e505e54c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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