HRID151772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID8868

Ethyl acetoacetate

C6H10O3

HCID24614

Phosphorus tribromide

Br3P

HCID2734682

(Triisopropylsilyl)acetylene

C11H22Si

结构：Cc1cc(Br)n(-c2ccc([N+](=O)[O-])cc2)n1

HCID11482930

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：Cc1cc(C#C[Si](C(C)C)(C(C)C)C(C)C)n(-c2ccc([N+](=O)[O-])cc2)n1

HCID18677118

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c8198e697aa4cc9ac9382382438b935
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:17]([O:18][CH2:19][CH3:20])(=[O:21])[CH2:22][C:23]([CH3:24])=[O:25].[CH3:42][C:43]#[N:44].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[CH:30]([CH3:31])([CH3:32])[Si:33]([CH:34]([CH3:35])[CH3:36])([CH:37]([CH3:38])[CH3:39])[C:40]#[CH:41].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7](-[n:10]2[n:11][c:12]([CH3:16])[cH:13][c:14]2[Br:15])[cH:8][cH:9]1.[P:26]([Br:27])([Br:28])[Br:29].[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>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7](-[n:10]2[n:11][c:12]([CH3:16])[cH:13][c:14]2[C:41]#[C:40][Si:33]([CH:30]([CH3:31])[CH3:32])([CH:34]([CH3:35])[CH3:36])[CH:37]([CH3:38])[CH3:39])[cH:8][cH:9]1