HRID1540201

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID24386

Thionyl chloride

Cl2OS

HCID81531

Diisopropylethylamine

C8H19N

HCID13861823

1-(Methoxycarbonyl)cyclopropane-1-carboxylic acid

C6H8O4

HCID59683214

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)C1(C(=O)OC)CC1

HCID57819909

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e50add3ceae240d18a6bfff902d0e2f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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