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

HCID11482930

未命名化合物

HCID178420554

未命名化合物

PRODUCTS

产物

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