HRID397984

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID33944

N-(2-Aminoethyl)piperidine

C7H16N2

2 次

结构：CCC(CC)Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](c2nc(C)no2)[C@@H](O)[C@H]1O

HCID56619484

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)Nc1nc(NCCN2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](c2nc(C)no2)[C@@H](O)[C@H]1O.O=CO

HCID70021678

未命名化合物

PROCEDURE

实验过程

Intermediate 11 (0.069 g, 0.163 mmol) and 2-piperidinoethylamine (0.116 ml, 0.815 mmol) were dissolved in DMSO (0.03 ml) and heated at 80° C. for 40 h in a sealed vial (Reacti vial™) a further portion of 2-piperidinoethylamine (0.058 ml, 0.407 mmol) was added after the first 20 h. The product was purified by Autoprep. HPLC to give the title compound after freeze drying as a brown solid (0.031 g). LC/MS system B Rt=2.25 min, m/z=516 MH+.

WORKUP

后处理

additionwas added after the first 20 h
customThe product was purified by Autoprep

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c01a3797b2964d078a784360bc103255
来源数据集: uspto-grants-2003_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06610665B1
来源说明: uspto-grants-2003_08

反应 SMILES

Cl[C:2]1[N:10]=[C:9]2[C:5]([N:6]=[CH:7][N:8]2[C@H:11]2[C@H:15]([OH:16])[C@H:14]([OH:17])[C@@H:13]([C:18]3[O:22][N:21]=[C:20]([CH3:23])[N:19]=3)[O:12]2)=[C:4]([NH:24][CH:25]([CH2:28][CH3:29])[CH2:26][CH3:27])[N:3]=1.[N:30]1([CH2:36][CH2:37][NH2:38])[CH2:35][CH2:34][CH2:33][CH2:32][CH2:31]1.CS(C)=[O:41]>>[CH:18]([OH:22])=[O:41].[CH2:26]([CH:25]([NH:24][C:4]1[N:3]=[C:2]([NH:38][CH2:37][CH2:36][N:30]2[CH2:35][CH2:34][CH2:33][CH2:32][CH2:31]2)[N:10]=[C:9]2[C:5]=1[N:6]=[CH:7][N:8]2[C@H:11]1[C@H:15]([OH:16])[C@H:14]([OH:17])[C@@H:13]([C:18]2[O:22][N:21]=[C:20]([CH3:23])[N:19]=2)[O:12]1)[CH2:28][CH3:29])[CH3:27]