HRID2142951

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID77922

tert-Butyl carbamate

C5H11NO2

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID14363850

4-Chloro-6-(4-nitrophenoxy)pyrimidine

C10H6ClN3O3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1cc(Oc2ccc([N+](=O)[O-])cc2)ncn1

HCID70881437

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4dd820684e0a46e6a4af8570f0449a8c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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