HRID685872

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID564216

Pyridine, 2-bromo-5-methyl-

C6H6BrN

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(Nc2ccc(C)cn2)CC1C

HCID77240819

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0e38d804c18d431e8804939f86c827fa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:29][c:30]1[n:31][cH:32][c:33]([CH3:36])[cH:34][cH: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.[CH3:37][C:38]([CH3:39])([O-:40])[CH3:41].[CH3:43][N:44]([CH3:45])[c:46]1[cH:47][cH:48][cH:49][cH:50][c:51]1-[c:52]1[cH:53][cH:54][cH:55][cH:56][c:57]1[P:58]([CH:59]1[CH2:60][CH2:61][CH2:62][CH2:63][CH2:64]1)[CH:65]1[CH2:66][CH2:67][CH2:68][CH2:69][CH2:70]1.[ClH:1].[Na+:42].[O:109]=[C:110]([CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1)[CH:119]=[CH:120][c:121]1[cH:122][cH:123][cH:124][cH:125][cH:126]1.[O:73]=[C:74]([CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1)[CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[O:91]=[C:92]([CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1)[CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1.[Pd:71].[Pd:72]>>[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][c:33]([CH3:36])[cH:34][cH: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