HRID123576

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9025

1,3-Dimethoxybenzene

C8H10O2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID61668

Boronic acid

H3BO2

HCID89956

4-Chloro-2-nitrobenzyl alcohol

C7H6ClNO3

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

PRODUCTS

生成物

结构：COc1cccc(OC)c1-c1ccc(CO)c([N+](=O)[O-])c1

HCID70056006

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8242bd396f5c40298aa9de43806414b8
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

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