HRID1181825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID74570

4-(Chloromethyl)pyridinium chloride

C6H7Cl2N

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

结构：CC(C)Cn1c(=O)[nH]c(=O)c2c(-c3cccn3C)n(Cc3csc4ccccc34)nc21

HCID69427155

未命名化合物

PRODUCTS

生成物

结构：CC(C)Cn1c(=O)n(Cc2ccccn2)c(=O)c2c(-c3cccn3C)n(Cc3csc4ccccc34)nc21

HCID58981110

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID679

Dimethyl sulfoxide

C2H6OS

CONDITIONS

反应条件

温度: 80 °C

PROCEDURE

实验过程

2-(1-benzothien-3-ylmethyl)-7-isobutyl-3-(1-methyl-1H-pyrrol-2-yl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione was dissolved in anhydrous dimethylsulfoxide and 1,8-diazabicyclo[5.4.0]undec-7-ene was added. 4-chloromethylpyridine hydrochloride was added and the mixture was heated at 80° C. for 18 h. The crude reaction product was purified by semi-prep RPHPLC eluting with water/acetonitrlle/trifluoroacetic acid mixtures. 525 (M+H).

WORKUP

后处理

customThe crude reaction product
customwas purified by semi-prep RPHPLC
washeluting with water/acetonitrlle/trifluoroacetic acid mixtures

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0019321e11c4238b1a6c2cf2e9b1b59
来源数据集: uspto-grants-2007_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07285558B2
来源说明: uspto-grants-2007_10

反应 SMILES

[S:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[C:3]([CH2:10][N:11]2[C:19]([C:20]3[N:21]([CH3:25])[CH:22]=[CH:23][CH:24]=3)=[C:18]3[C:13]([N:14]([CH2:28][CH:29]([CH3:31])[CH3:30])[C:15](=[O:27])[NH:16][C:17]3=[O:26])=[N:12]2)=[CH:2]1.N12C[CH2:41][CH2:40][N:39]=[C:38]1[CH2:37][CH2:36][CH2:35]CC2.Cl.ClCC1C=CN=CC=1>CS(C)=O>[S:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[C:3]([CH2:10][N:11]2[C:19]([C:20]3[N:21]([CH3:25])[CH:22]=[CH:23][CH:24]=3)=[C:18]3[C:13]([N:14]([CH2:28][CH:29]([CH3:31])[CH3:30])[C:15](=[O:27])[N:16]([CH2:41][C:40]4[CH:35]=[CH:36][CH:37]=[CH:38][N:39]=4)[C:17]3=[O:26])=[N:12]2)=[CH:2]1