HRID714455

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID516892

Sodium Bicarbonate

CHNaO3

HCID66631580

未命名化合物

结构：CC1(C)OC[C@H](COc2ccc(-c3c(C#N)c(N)nc(S)c3C#N)cc2)O1

HCID178431480

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1cc(CSc2nc(N)c(C#N)c(-c3ccc(OC[C@H]4COC(C)(C)O4)cc3)c2C#N)ccn1

HCID66633911

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

PROCEDURE

实验过程

450 mg (1.178 mmol) of 2-amino-4-(4-{[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy}phenyl)-6-mercaptopyridine-3,5-dicarbonitrile (Example 18A), 286 mg (1.29 mmol) of 4-(chloromethyl)-N-methylpyridine-2-carboxamide hydrochloride (Example 41A) and 395 mg (4.71 mmol) of sodium bicarbonate were dissolved in 7.1 ml of DMF and the mixture was stirred at RT for 1.5 h. Water was added to the reaction mixture. The precipitate was filtered off and washed with water.

WORKUP

后处理

filtrationThe precipitate was filtered off
washwashed with water

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eabda588edc64e7ab6b4e85e956faf2f
来源数据集: uspto-grants-2015_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09187428B2
来源说明: uspto-grants-2015_11

反应 SMILES

[NH2:1][C:2]1[C:7]([C:8]#[N:9])=[C:6]([C:10]2[CH:15]=[CH:14][C:13]([O:16][CH2:17][C@H:18]3[CH2:22][O:21][C:20]([CH3:24])([CH3:23])[O:19]3)=[CH:12][CH:11]=2)[C:5]([C:25]#[N:26])=[C:4]([SH:27])[N:3]=1.Cl.Cl[CH2:30][C:31]1[CH:36]=[CH:35][N:34]=[C:33]([C:37]([NH:39][CH3:40])=[O:38])[CH:32]=1.C(=O)(O)[O-].[Na+].O>CN(C=O)C>[NH2:1][C:2]1[N:3]=[C:4]([S:27][CH2:30][C:31]2[CH:36]=[CH:35][N:34]=[C:33]([C:37]([NH:39][CH3:40])=[O:38])[CH:32]=2)[C:5]([C:25]#[N:26])=[C:6]([C:10]2[CH:15]=[CH:14][C:13]([O:16][CH2:17][C@H:18]3[CH2:22][O:21][C:20]([CH3:23])([CH3:24])[O:19]3)=[CH:12][CH:11]=2)[C:7]=1[C:8]#[N:9]