HRID86289

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8083

Morpholine

C4H9NO

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID123546

4-Bromo-2-nitrotoluene

C7H6BrNO2

PRODUCTS

生成物

HCID21955888

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ae9e0026f82484c919e53aba99e2485
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

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