HRID668806

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID7732

4-Methoxybenzenamine

C7H9NO

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID4574913

未命名化合物

HCID9858785

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNc2nc(Nc3ccc(OC)cc3)nc3c2ncn3C(C)C)cc1

HCID10158993

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7397f11935b04c0abe881c77b3113411
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:24][O:25][c:26]1[cH:27][cH:28][c:29]([NH2:30])[cH:31][cH:32]1.[CH3:33][C:34]([CH3:35])([O-:36])[CH3:37].[Cl:1][c:2]1[n:3][c:4]([NH:14][CH2:15][c:16]2[cH:17][cH:18][c:19]([O:22][CH3:23])[cH:20][cH:21]2)[c:5]2[n:6][cH:7][n:8]([CH:11]([CH3:12])[CH3:13])[c:9]2[n:10]1.[K+:38].[O:41]=[C:42]([CH:43]=[CH:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1)[CH:51]=[CH:52][c:53]1[cH:54][cH:55][cH:56][cH:57][cH:58]1.[O:59]=[C:60]([CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)[CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[O:77]=[C:78]([CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)[CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[Pd:39].[Pd:40]>>[c:2]1([NH:30][c:29]2[cH:28][cH:27][c:26]([O:25][CH3:24])[cH:32][cH:31]2)[n:3][c:4]([NH:14][CH2:15][c:16]2[cH:17][cH:18][c:19]([O:22][CH3:23])[cH:20][cH:21]2)[c:5]2[n:6][cH:7][n:8]([CH:11]([CH3:12])[CH3:13])[c:9]2[n:10]1