HRID118673

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(Cl)cn1)c1ccc(Cl)c([N+](=O)[O-])c1

HCID693095

未命名化合物

HCID2756771

4-N-Boc-aminophenol

C11H15NO3

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(Oc2ccc(C(=O)Nc3ccc(Cl)cn3)cc2[N+](=O)[O-])cc1

HCID67040773

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b537dbe5d2be40daba62274abf3f9848
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

[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].[Cl:1][c:2]1[c:3]([N+:18](=[O:19])[O-:20])[cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[n:10][cH:11][c:12]([Cl:15])[cH:13][cH:14]2)[cH:16][cH:17]1.[K+:40].[K+:41]>>[c:2]1([O:35][c:32]2[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]2)[c:3]([N+:18](=[O:19])[O-:20])[cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[n:10][cH:11][c:12]([Cl:15])[cH:13][cH:14]2)[cH:16][cH:17]1