HRID967326

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID108813

4-Ethyl-2,3-dioxopiperazine-1-carbonyl chloride

C7H9ClN2O3

结构：CCOc1ccc(C2=NN(C3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OCC

HCID10175016

未命名化合物

PRODUCTS

生成物

结构：CCN1CCN(C(=O)N2CCC(N3N=C(c4ccc(OC)c(OC)c4)[C@H]4CC=CC[C@H]4C3=O)CC2)C(=O)C1=O

HCID9828642

未命名化合物

PROCEDURE

实验过程

Prepared from 4-ethyl-2,3-dioxo-piperazine-1-carbonyl chloride and starting compound A1 as described for compound 1. Crystallisation from ethyl acetate/diethyl ether. M. p. 226-228° C.

WORKUP

后处理

customCrystallisation from ethyl acetate/diethyl ether

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d72b2df91884dd6b13145629e8fa4ff
来源数据集: uspto-grants-2005_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06953853B2
来源说明: uspto-grants-2005_10

反应 SMILES

[CH2:1]([N:3]1[CH2:8][CH2:7][N:6]([C:9](Cl)=[O:10])[C:5](=[O:12])[C:4]1=[O:13])[CH3:2].[CH2:14]([O:16][C:17]1[CH:18]=[C:19]([C:26]2[C@@H:35]3[C@@H:30]([CH2:31][CH:32]=[CH:33][CH2:34]3)[C:29](=[O:36])[N:28]([CH:37]3[CH2:42][CH2:41][N:40](S(C4C=CC(C)=CC=4)(=O)=O)[CH2:39][CH2:38]3)[N:27]=2)[CH:20]=[CH:21][C:22]=1[O:23][CH2:24]C)C>>[CH3:14][O:16][C:17]1[CH:18]=[C:19]([C:26]2[C@@H:35]3[C@@H:30]([CH2:31][CH:32]=[CH:33][CH2:34]3)[C:29](=[O:36])[N:28]([CH:37]3[CH2:42][CH2:41][N:40]([C:9]([N:6]4[CH2:7][CH2:8][N:3]([CH2:1][CH3:2])[C:4](=[O:13])[C:5]4=[O:12])=[O:10])[CH2:39][CH2:38]3)[N:27]=2)[CH:20]=[CH:21][C:22]=1[O:23][CH3:24]