HRID214587

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

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID598777

4-phenylpyrimidin-2-amine

C10H9N3

HCID7015747

methyl 3-bromo-4-methylbenzoate

C9H9BrO2

PRODUCTS

生成物

结构：COC(=O)c1ccc(C)c(Nc2nccc(-c3ccccc3)n2)c1

HCID68466271

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a18f1df1db8e4992ad8da0d8e58a8c33
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:14][c:15]1[cH:16][c:17]([C:18](=[O:19])[O:20][CH3:21])[cH:22][cH:23][c:24]1[CH3:25].[C:26](=[O:27])([O-:28])[O-:29].[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:1]1(-[c:7]2[n:8][c:9]([NH2:13])[n:10][cH:11][cH:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[n:8][c:9]([NH:13][c:15]3[cH:16][c:17]([C:18](=[O:19])[O:20][CH3:21])[cH:22][cH:23][c:24]3[CH3:25])[n:10][cH:11][cH:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1