HRID2134520

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID78013

Piperazine, 1-isopropyl-

C7H16N2

HCID81110

5-Chloro-2-nitroanisole

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：COc1cc(N2CCN(C(C)C)CC2)ccc1[N+](=O)[O-]

HCID58748443

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-152925fcedf9405abc8c2c55ed658818
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:22](=[O:23])([O-:24])[O-:25].[CH3:13][CH:14]([CH3:15])[N:16]1[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]1.[CH3:34][CH2:35][O:36][C:37]([CH3:38])=[O:39].[Cl:1][c:2]1[cH:3][c:4]([O:11][CH3:12])[c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1.[Cs+:26].[Cs+:27].[O:28]1[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1.[O:43]=[C:44]([CH:45]=[CH:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[O:61]=[C:62]([CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[O:79]=[C:80]([CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1)[CH:89]=[CH:90][c:91]1[cH:92][cH:93][cH:94][cH:95][cH:96]1.[OH2:40].[Pd:41].[Pd:42]>>[c:2]1([N:19]2[CH2:18][CH2:17][N:16]([CH:14]([CH3:13])[CH3:15])[CH2:21][CH2:20]2)[cH:3][c:4]([O:11][CH3:12])[c:5]([N+:8](=[O:9])[O-:10])[cH:6][cH:7]1