HRID1181736

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66053

N,N-Dimethylethylenediamine

C4H12N2

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

结构：CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cc(C(=O)O)cn3C)n(Cc3csc4ccccc34)nc21

HCID58980952

未命名化合物

PRODUCTS

生成物

结构：CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cc(C(=O)NCCN(C)C)cn3C)n(Cc3csc4ccccc34)nc21

HCID58980974

未命名化合物

PROCEDURE

实验过程

This compound was synthesized by the reaction of 5-[2-(1-benzothien-3-ylmethyl)-7-isobutyl-5-methyl-4,6-dioxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-1-methyl-1H-pyrrole-3-carboxylic acid and N,N-dimethylethane-1,2-diamine using diethyl cyanophosphonate as a coupling reagent. Mass: 562.18 (M+H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0fdbbe71eded4e3f87be8382f4ce0880
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:24]([CH3:25])[CH:23]=[C:22]([C:26]([OH:28])=O)[CH:21]=3)=[C:18]3[C:13]([N:14]([CH2:32][CH:33]([CH3:35])[CH3:34])[C:15](=[O:31])[N:16]([CH3:30])[C:17]3=[O:29])=[N:12]2)=[CH:2]1.[CH3:36][N:37]([CH3:41])[CH2:38][CH2:39][NH2:40].C(P(=O)(OCC)OCC)#N>>[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:24]([CH3:25])[CH:23]=[C:22]([C:26]([NH:40][CH2:39][CH2:38][N:37]([CH3:41])[CH3:36])=[O:28])[CH:21]=3)=[C:18]3[C:13]([N:14]([CH2:32][CH:33]([CH3:35])[CH3:34])[C:15](=[O:31])[N:16]([CH3:30])[C:17]3=[O:29])=[N:12]2)=[CH:2]1