HRID1570581

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

3 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

HCID53167

1-Methylpiperazine

C5H12N2

HCID95417

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

C17H14O

HCID86623476

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cc1cc(N2CCN(C)CC2)ncc1[N+](=O)[O-]

HCID66869335

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d2a454fe18c846aea88b89b4871e8496
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

[CH2:9]([CH3:10])[O:11][C:12]([CH2:13][c:14]1[cH:15][c:16]([Br:23])[n:17][cH:18][c:19]1[N+:20](=[O:21])[O-:22])=[O:24].[CH3:25][N:26]1[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]1.[CH3:34][O:35][CH2:36][CH2:37][O:38][CH3:39].[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[CH:47](=[CH:48][C:49]([CH:50]=[CH:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1)=[O:58])[c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[Cl-:32].[K+:6].[K+:7].[K+:8].[Na+:33].[OH2:46].[P:1]([O-:2])([O-:3])([O-:4])=[O:5].[Pd:65]>>[CH2:9]([CH3:10])[O:11][C:12]([CH2:13][c:14]1[cH:15][c:16]([N:29]2[CH2:28][CH2:27][N:26]([CH3:25])[CH2:31][CH2:30]2)[n:17][cH:18][c:19]1[N+:20](=[O:21])[O-:22])=[O:24]