HRID1218356

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID566605

Piperazine, 2-pyridylethyl-

C11H17N3

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C33H49P

HCID46738833

Ethyl 7-bromobenzofuran-2-carboxylate

C11H9BrO3

PRODUCTS

生成物

结构：CCOC(=O)c1cc2cccc(N3CCN(CCc4ccccn4)CC3)c2o1

HCID59636751

Ethyl 7-(4-(2-(pyridin-2-yl)ethyl)piperazin-1-yl)benzofuran-2-carboxylate

C22H25N3O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85d268cb947e4f568938225a145eff7f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[o:9][c:10]12.[C:30](=[O:31])([O-:32])[O-:33].[CH:36]1([P:37]([CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[c:44]2[cH:45][cH:46][cH:47][cH:48][c:49]2-[c:50]2[c:51]([CH:52]([CH3:53])[CH3:54])[cH:55][c:56]([CH:57]([CH3:58])[CH3:59])[cH:60][c:61]2[CH:62]([CH3:63])[CH3:64])[CH2:65][CH2:66][CH2:67][CH2:68][CH2:69]1.[Cl:126][CH2:127][Cl:128].[Cs+:34].[Cs+:35].[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.[OH2:129].[Pd:70].[Pd:71].[n:16]1[c:17]([CH2:22][CH2:23][N:24]2[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]2)[cH:18][cH:19][cH:20][cH:21]1>>[c:2]1([N:27]2[CH2:26][CH2:25][N:24]([CH2:23][CH2:22][c:17]3[n:16][cH:21][cH:20][cH:19][cH:18]3)[CH2:29][CH2:28]2)[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[o:9][c:10]12