HRID819630

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

HCID574450

5-Fluoropyridin-3-amine

C5H5FN2

HCID67433447

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1cccc([N+](=O)[O-])c1Nc1cncc(F)c1

HCID67432758

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-007e34a6150d4778b7af40c9c76e78b8
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:7][c:8]1[c:9]([C:10](=[O:11])[NH:12][CH3:13])[cH:14][cH:15][cH:16][c:17]1[N+:18](=[O:19])[O-:20].[C:1](=[O:2])([O-:3])[O-:4].[CH3:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH3:36][CH2:37][O:38][C:39]([CH3:40])=[O:41].[Cs+:5].[Cs+:6].[F:21][c:22]1[cH:23][c:24]([NH2:28])[cH:25][n:26][cH:27]1.[O:44]=[C:45]([CH:46]=[CH:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1)[CH:54]=[CH:55][c:56]1[cH:57][cH:58][cH:59][cH:60][cH:61]1.[O:62]=[C:63]([CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1)[CH:72]=[CH:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[O:80]=[C:81]([CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1)[CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1.[Pd:42].[Pd:43]>>[c:8]1([NH:28][c:24]2[cH:23][c:22]([F:21])[cH:27][n:26][cH:25]2)[c:9]([C:10](=[O:11])[NH:12][CH3:13])[cH:14][cH:15][cH:16][c:17]1[N+:18](=[O:19])[O-:20]