HRID118038

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID78345

Pyrimidine, 2-bromo-

C4H3BrN2

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

结构：CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID2734217

2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl

C26H36NP

HCID4574913

未命名化合物

结构：CC(=O)N1c2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2C(N)CC1C

HCID77240578

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1c2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2C(Nc2ncccn2)CC1C

HCID77240891

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8e97ae1f26b4fb5a977e4d45014efcd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:29][c:30]1[n:31][cH:32][cH:33][cH:34][n:35]1.[C:2]([CH3:3])(=[O:4])[N:5]1[CH:6]([CH3:28])[CH2:7][CH:8]([NH2:27])[c:9]2[cH:10][c:11]([C:15]#[C:16][Si:17]([CH:18]([CH3:19])[CH3:20])([CH:21]([CH3:22])[CH3:23])[CH:24]([CH3:25])[CH3:26])[cH:12][cH:13][c:14]21.[CH3:126][c:127]1[cH:128][cH:129][cH:130][cH:131][cH:132]1.[CH3:36][C:37]([CH3:38])([O-:39])[CH3:40].[CH3:42][N:43]([CH3:44])[c:45]1[cH:46][cH:47][cH:48][cH:49][c:50]1-[c:51]1[cH:52][cH:53][cH:54][cH:55][c:56]1[P:57]([CH:58]1[CH2:59][CH2:60][CH2:61][CH2:62][CH2:63]1)[CH:64]1[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]1.[ClH:1].[Na+:41].[O:108]=[C:109]([CH:110]=[CH:111][c:112]1[cH:113][cH:114][cH:115][cH:116][cH:117]1)[CH:118]=[CH:119][c:120]1[cH:121][cH:122][cH:123][cH:124][cH:125]1.[O:72]=[C:73]([CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)[CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[Pd:70].[Pd:71]>>[C:2]([CH3:3])(=[O:4])[N:5]1[CH:6]([CH3:28])[CH2:7][CH:8]([NH:27][c:30]2[n:31][cH:32][cH:33][cH:34][n:35]2)[c:9]2[cH:10][c:11]([C:15]#[C:16][Si:17]([CH:18]([CH3:19])[CH3:20])([CH:21]([CH3:22])[CH3:23])[CH:24]([CH3:25])[CH3:26])[cH:12][cH:13][c:14]21