HRID2146916

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID68039

Kyanmethin

C6H9N3

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

HCID10910058

2-chloro-5-nitropyridin-4-amine

C5H4ClN3O2

PRODUCTS

生成物

结构：Cc1cc(Nc2cc(N)c([N+](=O)[O-])cn2)nc(C)n1

HCID67128909

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75d0a697ffae478f90d70b1a7f174c6d
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:21](=[O:22])([O-:23])[O-:24].[Cs+:25].[Cs+:26].[NH2:12][c:13]1[n:14][c:15]([CH3:20])[n:16][c:17]([CH3:19])[cH:18]1.[NH2:1][c:2]1[cH:3][c:4]([Cl:11])[n:5][cH:6][c:7]1[N+:8](=[O:9])[O-:10].[O:29]=[C:30]([CH:31]=[CH:32][c:33]1[cH:34][cH:35][cH:36][cH:37][cH:38]1)[CH:39]=[CH:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1.[O:47]=[C:48]([CH:49]=[CH:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)[CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[O:65]=[C:66]([CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)[CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[O:83]1[CH2:84][CH2:85][O:86][CH2:87][CH2:88]1.[Pd:27].[Pd:28]>>[NH2:1][c:2]1[cH:3][c:4]([NH:12][c:13]2[n:14][c:15]([CH3:20])[n:16][c:17]([CH3:19])[cH:18]2)[n:5][cH:6][c:7]1[N+:8](=[O:9])[O-:10]