HRID1181722

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

HCID123098

4-Methylaminopyridine

C6H8N2

结构：CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cc(C(=O)O)cn3C)n(Cc3c[nH]c4ccc(Cl)cc34)nc21

HCID58981063

未命名化合物

PRODUCTS

生成物

结构：CC(C)Cn1c(=O)n(C)c(=O)c2c(-c3cc(C(=O)NCc4ccncc4)cn3C)n(Cc3c[nH]c4ccc(Cl)cc34)nc21

HCID58981047

未命名化合物

PROCEDURE

实验过程

This compound was synthesized by the reaction of 5-{2-[(5-chloro-1H-indol-3-yl)methyl]-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 pyridin-4-yl-methylamine using diethyl cyanophosphonate as a coupling reagent. Mass: 599.15 (M+H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15a29db017b643588d370abb3997a45c
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

[Cl:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][CH:6]=[C:5]2[CH2:11][N:12]1[C:20]([C:21]2[N:25]([CH3:26])[CH:24]=[C:23]([C:27]([OH:29])=O)[CH:22]=2)=[C:19]2[C:14]([N:15]([CH2:33][CH:34]([CH3:36])[CH3:35])[C:16](=[O:32])[N:17]([CH3:31])[C:18]2=[O:30])=[N:13]1.[N:37]1[CH:42]=[CH:41][C:40](NC)=[CH:39][CH:38]=1.[C:45](P(=O)(OCC)OCC)#[N:46]>>[Cl:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][CH:6]=[C:5]2[CH2:11][N:12]1[C:20]([C:21]2[N:25]([CH3:26])[CH:24]=[C:23]([C:27]([NH:46][CH2:45][C:40]3[CH:39]=[CH:38][N:37]=[CH:42][CH:41]=3)=[O:29])[CH:22]=2)=[C:19]2[C:14]([N:15]([CH2:33][CH:34]([CH3:35])[CH3:36])[C:16](=[O:32])[N:17]([CH3:31])[C:18]2=[O:30])=[N:13]1