HRID2340767

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16702

3-Aminobenzonitrile

C7H6N2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

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

HCID2734217

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

C26H36NP

结构：CCOC(=O)c1[nH]c2c(Br)cccc2c1CCCOc1cccc2ccccc12

HCID68938945

Ethyl 7-bromo-3-[3-(1-naphthalenyloxy)propyl]-1H-indole-2-carboxylate

C24H22BrNO3

PRODUCTS

生成物

结构：CCOC(=O)c1[nH]c2c(Nc3cccc(C#N)c3)cccc2c1CCCOc1cccc2ccccc12

HCID68936943

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67ad1e8b2b9d4648bf28cc546fc38f50
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]([CH2:16][CH2:17][CH2:18][O:19][c:20]3[cH:21][cH:22][cH:23][c:24]4[cH:25][cH:26][cH:27][cH:28][c:29]34)[c:8]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[nH:9][c:10]12.[C:67](=[O:68])([O-:69])[O-:70].[CH:39]1([P:40]([CH:41]2[CH2:42][CH2:43][CH2:44][CH2:45][CH2:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2-[c:53]2[c:54]([N:55]([CH3:56])[CH3:57])[cH:58][cH:59][cH:60][cH:61]2)[CH2:62][CH2:63][CH2:64][CH2:65][CH2:66]1.[Cs+:71].[Cs+:72].[NH2:30][c:31]1[cH:32][c:33]([C:34]#[N:35])[cH:36][cH:37][cH:38]1.[O:117]=[C:118]([CH:119]=[CH:120][c:121]1[cH:122][cH:123][cH:124][cH:125][cH:126]1)[CH:127]=[CH:128][c:129]1[cH:130][cH:131][cH:132][cH:133][cH:134]1.[O:73]1[CH2:74][CH2:75][O:76][CH2:77][CH2:78]1.[O:81]=[C:82]([CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1)[CH:91]=[CH:92][c:93]1[cH:94][cH:95][cH:96][cH:97][cH:98]1.[O:99]=[C:100]([CH:101]=[CH:102][c:103]1[cH:104][cH:105][cH:106][cH:107][cH:108]1)[CH:109]=[CH:110][c:111]1[cH:112][cH:113][cH:114][cH:115][cH:116]1.[Pd:79].[Pd:80]>>[c:2]1([NH:30][c:31]2[cH:32][c:33]([C:34]#[N:35])[cH:36][cH:37][cH:38]2)[cH:3][cH:4][cH:5][c:6]2[c:7]([CH2:16][CH2:17][CH2:18][O:19][c:20]3[cH:21][cH:22][cH:23][c:24]4[cH:25][cH:26][cH:27][cH:28][c:29]34)[c:8]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[nH:9][c:10]12