HRID2334454

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID53167

1-Methylpiperazine

C5H12N2

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID58902322

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C)n1-c1cc(N2CCN(C)CC2)cc(C(F)(F)F)c1

HCID58902457

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8793a1abcf194e56a24aee67a25bc176
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][c:4](-[n:12]2[c:13]([CH3:18])[cH:14][cH:15][c:16]2[CH3:17])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[C:26](=[O:27])([O-:28])[O-:29].[CH3:19][N:20]1[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1.[CH3:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1.[Cs+:30].[Cs+:31].[O:41]=[C:42]([CH:43]=[CH:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)[CH:51]=[CH:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[O:59]=[C:60]([CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)[CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[O:77]=[C:78]([CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)[CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[Pd:39].[Pd:40]>>[c:2]1([N:23]2[CH2:22][CH2:21][N:20]([CH3:19])[CH2:25][CH2:24]2)[cH:3][c:4](-[n:12]2[c:13]([CH3:18])[cH:14][cH:15][c:16]2[CH3:17])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1