HRID81416

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID712

Formaldehyde

CH2O

HCID5003444

Sodium cyanotrihydroborate

CH3BNNa

结构：Cn1c(=O)c2c(Nc3ccccc3)n(Cc3ccc(-c4ccccn4)cc3)nc2n(CC2CCCN2)c1=O

HCID42642578

未命名化合物

PRODUCTS

生成物

结构：CN1CCCC1Cn1c(=O)n(C)c(=O)c2c(Nc3ccccc3)n(Cc3ccc(-c4ccccn4)cc3)nc21

HCID42642579

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID887

Methanol

CH4O

2 次

PROCEDURE

实验过程

5-methyl-3-(phenylamino)-2-(4-(pyridin-2-yl)benzyl)-7-(pyrrolidin-2-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione is dissolved in CH3OH (200 μL), and then 37% formaldehyde (2.3 μL) is added at room temperature. After 5 min, NaBH3CN (1.8 mg, 0.028 mmol) in CH3OH (100 μL) is added. The reaction mixture is stirred at r.t. for 30 min. The mixture is purified by HPLC to give pure product as white solids. MS (ESI) m/z 522.3 [M+H]+.

WORKUP

后处理

customThe mixture is purified by HPLC
customto give pure product as white solids

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-787cb5e9678948418c936b964cb1467e
来源数据集: uspto-grants-2014_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08846693B2
来源说明: uspto-grants-2014_09

反应 SMILES

[CH3:1][N:2]1[C:7](=[O:8])[C:6]2=[C:9]([NH:25][C:26]3[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=3)[N:10]([CH2:12][C:13]3[CH:18]=[CH:17][C:16]([C:19]4[CH:24]=[CH:23][CH:22]=[CH:21][N:20]=4)=[CH:15][CH:14]=3)[N:11]=[C:5]2[N:4]([CH2:32][CH:33]2[CH2:37][CH2:36][CH2:35][NH:34]2)[C:3]1=[O:38].C=O.[BH3-][C:42]#N.[Na+]>CO>[CH3:1][N:2]1[C:7](=[O:8])[C:6]2=[C:9]([NH:25][C:26]3[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=3)[N:10]([CH2:12][C:13]3[CH:18]=[CH:17][C:16]([C:19]4[CH:24]=[CH:23][CH:22]=[CH:21][N:20]=4)=[CH:15][CH:14]=3)[N:11]=[C:5]2[N:4]([CH2:32][CH:33]2[CH2:37][CH2:36][CH2:35][N:34]2[CH3:42])[C:3]1=[O:38]