HRID200689

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

结构：O=C(Nc1ccc(Br)cc1)c1ccc(Cl)c([N+](=O)[O-])c1

HCID1068537

N-(4-Bromophenyl)-4-chloro-3-nitrobenzamide

C13H8BrClN2O3

HCID2756771

4-N-Boc-aminophenol

C11H15NO3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(Oc2ccc(C(=O)Nc3ccc(Br)cc3)cc2[N+](=O)[O-])cc1

HCID67040702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e30e1670f66b449ea2ab8237cffbbaa2
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

[Br:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9]([c:10]2[cH:11][c:12]([N+:17](=[O:18])[O-:19])[c:13]([Cl:16])[cH:14][cH:15]2)=[O:20])[cH:6][cH:7]1.[C:21](=[O:22])([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[NH:28][c:29]1[cH:30][cH:31][c:32]([OH:35])[cH:33][cH:34]1.[C:36](=[O:37])([O-:38])[O-:39].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[K+:40].[K+:41]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9]([c:10]2[cH:11][c:12]([N+:17](=[O:18])[O-:19])[c:13]([O:35][c:32]3[cH:31][cH:30][c:29]([NH:28][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:34][cH:33]3)[cH:14][cH:15]2)=[O:20])[cH:6][cH:7]1