HRID175208

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

3 次

HCID1049

Pyridine

C5H5N

HCID1061

Phosphate

O4P-3

HCID6344

Dichloromethane

CH2Cl2

HCID27099

Copper(2+)

Cu+2

HCID66827

Boronic acid, phenyl-

C6H7BO2

结构：Nc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2ccccc2)CC1

HCID58425640

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2Nc2ccccc2)CC1

HCID46199221

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3704713e3624ba5ac700cdaf4fb62c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:51]([O-:52])(=[O:53])[CH3:54].[C:56]([O-:57])(=[O:58])[CH3:59].[Cl:48][CH2:49][Cl:50].[Cu+2:55].[K+:30].[K+:31].[K+:32].[NH2:1][c:2]1[c:3]([N:11]2[CH2:12][CH2:13][N:14]([C:17](=[O:18])[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:15][CH2:16]2)[cH:4][cH:5][c:6]([N+:8](=[O:9])[O-:10])[cH:7]1.[OH:33][B:34]([OH:35])[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[P:25]([O-:26])([O-:27])([O-:28])=[O:29].[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[NH:1]([c:2]1[c:3]([N:11]2[CH2:12][CH2:13][N:14]([C:17](=[O:18])[c:19]3[cH:20][cH:21][cH:22][cH:23][cH:24]3)[CH2:15][CH2:16]2)[cH:4][cH:5][c:6]([N+:8](=[O:9])[O-:10])[cH:7]1)[c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1