HRID134425

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7448

Benzoic acid, 2-chloro-4-nitro-

C7H4ClNO4

HCID8471

Triethylamine

C6H15N

HCID204484

Propylphosphonic acid

C3H9O3P

HCID66877987

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)NC(=O)c1cccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)c1

HCID57917601

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-014fcf1c75c94527b886649475eb7adf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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