HRID111011

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID15655

Cyclopropane carboxylic acid

C4H6O2

HCID24813

Phosphoric trichloride

Cl3OP

HCID81531

Diisopropylethylamine

C8H19N

结构：COC(=O)c1ccc2c(c1)CC(C)(C)C(c1ccc(F)c([N+](=O)[O-])c1)N2

HCID67442620

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(c1)CC(C)(C)C(c1ccc(F)c(NC(=O)C3CC3)c1)N2

HCID67443191

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f36d526ac864f759399db77e809894d
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

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