HRID91073

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7852

Propylamine

C3H9N

HCID8857

Ethyl acetate

C4H8O2

结构：CNC(=O)c1cc(-c2cccc(CN(C3CCc4ccccc43)S(=O)(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cnc1N

HCID178485269

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1cc(-c2cccc(CNC3CCc4ccccc43)c2)cnc1N

HCID178485268

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ef729fc0c5448e3a922d4df36693d70
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

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