HRID1542713

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

HCID66111

Trimethylsilylacetylene

C5H10Si

HCID83717

Copper iodide (CuI2)

CuI2

结构：CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc2[nH]nc(-c3cccc(Br)c3)c2c1

HCID22567155

未命名化合物

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：C[Si](C)(C)C#Cc1cccc(-c2n[nH]c3ccc(NS(=O)(=O)c4ccccc4S(C)(=O)=O)cc23)c1

HCID22567152

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1792aa11ec8f4b688805349670908948
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:33][c:34]1[cH:35][c:36](-[c:40]2[n:41][nH:42][c:43]3[cH:44][cH:45][c:46]([NH:49][S:50](=[O:51])(=[O:52])[c:53]4[c:54]([S:59](=[O:60])(=[O:61])[CH3:62])[cH:55][cH:56][cH:57][cH:58]4)[cH:47][c:48]23)[cH:37][cH:38][cH:39]1.[CH3:1][Si:2]([CH3:3])([CH3:4])[C:5]#[CH:6].[CH3:26][CH2:27][N:28]([CH2:29][CH3:30])[CH2:31][CH3:32].[CH3:63][C:64]#[N:65].[Cu:66]([I:67])[I:68].[OH2:146].[c:7]1([P:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[cH:21][cH:22][cH:23][cH:24][cH:25]1.[cH:69]1[cH:70][cH:71][c:72]([P:73]([Pd:74]([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)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([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)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[P:113]([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)([c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)([c:132]2[cH:133][cH:134][cH:135][cH:136][cH:137]2)[c:138]2[cH:139][cH:140][cH:141][cH:142][cH:143]2)[cH:144][cH:145]1>>[CH3:1][Si:2]([CH3:3])([CH3:4])[C:5]#[C:6][c:34]1[cH:35][c:36](-[c:40]2[n:41][nH:42][c:43]3[cH:44][cH:45][c:46]([NH:49][S:50](=[O:51])(=[O:52])[c:53]4[c:54]([S:59](=[O:60])(=[O:61])[CH3:62])[cH:55][cH:56][cH:57][cH:58]4)[cH:47][c:48]23)[cH:37][cH:38][cH:39]1