HRID2329092

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8082

Piperidine

C5H11N

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID30165

Iodide ion

I-

HCID66111

Trimethylsilylacetylene

C5H10Si

HCID618709

4-Bromo-4'-pentylbiphenyl

C17H19Br

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CCCCCc1ccc(-c2ccc(C#C[Si](C)(C)C)cc2)cc1

HCID15120769

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d55ce2132d7a41d4b9150cf7cec0418c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[cH:12][cH:13]2)[cH:6][cH:7]1.[CH2:46]1[CH2:47][CH2:48][NH:49][CH2:50][CH2:51]1.[CH3:129][CH2:130][O:131][C:132](=[O:133])[CH3:134].[CH3:19][Si:20]([CH3:21])([CH3:22])[C:23]#[CH:24].[ClH:45].[I-:44].[OH2:135].[c:25]1([P:26]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:33]2[cH:34][cH:35][cH:36][cH:37][cH:38]2)[cH:39][cH:40][cH:41][cH:42][cH:43]1.[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([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)([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([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)[P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([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)[cH:127][cH:128]1>>[c:2]1([C:24]#[C:23][Si:20]([CH3:19])([CH3:21])[CH3:22])[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[cH:12][cH:13]2)[cH:6][cH:7]1