HRID91361

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

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

HCID144749

Ethyl 5-bromo-2-chlorobenzoate

C9H8BrClO2

HCID2736229

1-(2-dimethylaminoethyl)piperazine

C8H19N3

PRODUCTS

生成物

结构：CCOC(=O)c1cc(N2CCN(CCN(C)C)CC2)ccc1Cl

HCID68670354

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-797be77771664649ae948493869fbaba
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:1][c:2]1[cH:3][cH:4][c:5]([Cl:13])[c:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[cH:12]1.[C:14](=[O:15])([O-:16])[O-:17].[CH3:20][c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH3:27][N:28]([CH2:29][CH2:30][N:31]1[CH2:32][CH2:33][NH:34][CH2:35][CH2:36]1)[CH3:37].[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[Cs+:18].[Cs+:19].[O:46]=[C:47]([CH:48]=[CH:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1)[CH:56]=[CH:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[O:64]=[C:65]([CH:66]=[CH:67][c:68]1[cH:69][cH:70][cH:71][cH:72][cH:73]1)[CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[O:82]=[C:83]([CH:84]=[CH:85][c:86]1[cH:87][cH:88][cH:89][cH:90][cH:91]1)[CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1.[Pd:44].[Pd:45]>>[c:2]1([N:34]2[CH2:33][CH2:32][N:31]([CH2:30][CH2:29][N:28]([CH3:27])[CH3:37])[CH2:36][CH2:35]2)[cH:3][cH:4][c:5]([Cl:13])[c:6]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[cH:12]1