HRID1551449

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

HCID32051

Zinc (II) cation

Zn+2

HCID736793

5-bromonicotinonitrile

C6H3BrN2

结构：C[Si](C)(C)C#Cc1ccc(F)c(CNS(C)(=O)=O)c1

HCID67047541

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：CS(=O)(=O)NCc1cc(C#Cc2cncc(C#N)c2)ccc1F

HCID67047961

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-313fbb0ab5ee4a56a6438dccc9813b00
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-:59].[Br-:61].[Br:8][c:9]1[cH:10][n:11][cH:12][c:13]([C:14]#[N:15])[cH:16]1.[CH3:1][CH2:2][N:3]([CH2:4][CH3:5])[CH2:6][CH3:7].[CH3:37][CH2:38][CH2:39][CH2:40][N+:41]([CH2:42][CH2:43][CH2:44][CH3:45])([CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH2:51][CH2:52][CH3:53].[F-:36].[F:17][c:18]1[c:19]([CH2:20][NH:21][S:22](=[O:23])(=[O:24])[CH3:25])[cH:26][c:27]([C:30]#[C:31][Si:32]([CH3:33])([CH3:34])[CH3:35])[cH:28][cH:29]1.[O:54]1[CH2:55][CH2:56][CH2:57][CH2:58]1.[Zn+2:60].[cH:62]1[cH:63][cH:64][c:65]([P:66]([Pd:67]([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)([P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[P:106]([c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)([c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)[c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[cH:137][cH:138]1>>[c:9]1([C:31]#[C:30][c:27]2[cH:26][c:19]([CH2:20][NH:21][S:22](=[O:23])(=[O:24])[CH3:25])[c:18]([F:17])[cH:29][cH:28]2)[cH:10][n:11][cH:12][c:13]([C:14]#[N:15])[cH:16]1