HRID190414

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID30165

Iodide ion

I-

HCID66111

Trimethylsilylacetylene

C5H10Si

结构：CC1(C)OC(=O)Nc2ccc(-c3cccc(Br)c3)cc21

HCID9862411

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OC(=O)Nc2ccc(-c3cccc(C#C[Si](C)(C)C)c3)cc21

HCID9902976

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28750afe2d8543db909983232f44294d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4](-[c:8]2[cH:9][c:10]3[c:11]([cH:19][cH:20]2)[NH:12][C:13](=[O:18])[O:14][C:15]3([CH3:16])[CH3:17])[cH:5][cH:6][cH:7]1.[CH2:28]([N:29]([CH2:30][CH3:31])[CH2:32][CH3:33])[CH3:34].[CH3:21][Si:22]([CH3:23])([CH3:24])[C:25]#[CH:26].[I-:27].[Pd:35].[c:36]1([P:37]([c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1.[c:55]1([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1.[c:74]1([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]1.[c:93]1([P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[cH:107][cH:108][cH:109][cH:110][cH:111]1>>[c:2]1([C:26]#[C:25][Si:22]([CH3:21])([CH3:23])[CH3:24])[cH:3][c:4](-[c:8]2[cH:9][c:10]3[c:11]([cH:19][cH:20]2)[NH:12][C:13](=[O:18])[O:14][C:15]3([CH3:16])[CH3:17])[cH:5][cH:6][cH:7]1