HRID1571407

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8083

Morpholine

C4H9NO

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

结构：CC(C)c1nc2c([N+](=O)[O-])cc(Br)cc2n1Cc1cccc2ccccc12

HCID66976896

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nc2c([N+](=O)[O-])cc(N3CCOCC3)cc2n1Cc1cccc2ccccc12

HCID66976960

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce87999e14664b529420cd1531e6f633
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([N+:25](=[O:26])[O-:27])[c:5]2[c:6]([n:7]([CH2:13][c:14]3[cH:15][cH:16][cH:17][c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]34)[c:8]([CH:10]([CH3:11])[CH3:12])[n:9]2)[cH:24]1.[C:34](=[O:35])([O-:36])[O-:37].[CH2:28]1[CH2:29][O:30][CH2:31][CH2:32][NH:33]1.[Cs+:38].[Cs+:39].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[O:48]=[C:49]([CH:50]=[CH:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)[CH:58]=[CH:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[O:66]=[C:67]([CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1)[CH:76]=[CH:77][c:78]1[cH:79][cH:80][cH:81][cH:82][cH:83]1.[O:84]=[C:85]([CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1)[CH:94]=[CH:95][c:96]1[cH:97][cH:98][cH:99][cH:100][cH:101]1.[Pd:46].[Pd:47]>>[c:2]1([N:33]2[CH2:28][CH2:29][O:30][CH2:31][CH2:32]2)[cH:3][c:4]([N+:25](=[O:26])[O-:27])[c:5]2[c:6]([n:7]([CH2:13][c:14]3[cH:15][cH:16][cH:17][c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]34)[c:8]([CH:10]([CH3:11])[CH3:12])[n:9]2)[cH:24]1