HRID106046

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6344

Dichloromethane

CH2Cl2

HCID23994

Zinc

结构：CN(C)CCNc1ccc(-n2ccn(-c3ccc(Oc4ccccc4)cc3)c2=O)cc1[N+](=O)[O-]

HCID21873399

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCNc1ccc(-n2ccn(-c3ccc(Oc4ccccc4)cc3)c2=O)cc1N

HCID21873323

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-307019c6071a43acbe577e6b0acfbf10
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

[CH3:1][N:2]([CH2:3][CH2:4][NH:5][c:6]1[c:7]([N+:31]([O-:32])=[O:33])[cH:8][c:9](-[n:12]2[c:13](=[O:30])[n:14](-[c:17]3[cH:18][cH:19][c:20]([O:23][c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[cH:21][cH:22]3)[cH:15][cH:16]2)[cH:10][cH:11]1)[CH3:34].[CH3:38][C:39](=[O:40])[OH:41].[Cl:35][CH2:36][Cl:37].[Zn:42]>>[CH3:1][N:2]([CH2:3][CH2:4][NH:5][c:6]1[c:7]([NH2:31])[cH:8][c:9](-[n:12]2[c:13](=[O:30])[n:14](-[c:17]3[cH:18][cH:19][c:20]([O:23][c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[cH:21][cH:22]3)[cH:15][cH:16]2)[cH:10][cH:11]1)[CH3:34]