HRID2201290

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15965893

3-Bromo-5-chlorobenzonitrile

C7H3BrClN

结构：Cn1c(=O)c2c(-c3cccc(C#N)c3)n(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)cc2n(C)c1=O

HCID86723523

未命名化合物

PRODUCTS

生成物

结构：Cn1c(=O)c2c(-c3cc(Cl)cc(C#N)c3)n(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)cc2n(C)c1=O

HCID86723524

未命名化合物

PROCEDURE

实验过程

The title compound was prepared analogously to 3-(1,3-dimethyl-2,4-dioxo-6-(2-(tritylthio)ethyl)-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-d]pyrimidin-5-yl)benzonitrile (Intermediate GA step 1) by replacing bromobenzonitrile with 3-bromo-5-chlorobenzonitrile;

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-017fd23cc0914310b07fa5ce3d007288
来源数据集: uspto-grants-2016_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09359381B2
来源说明: uspto-grants-2016_06

反应 SMILES

[CH3:1][N:2]1[C:7]2=[CH:8][N:9]([CH2:19][CH2:20][S:21][C:22]([C:35]3[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=3)([C:29]3[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=3)[C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=3)[C:10]([C:11]3[CH:12]=[C:13]([CH:16]=[CH:17][CH:18]=3)[C:14]#[N:15])=[C:6]2[C:5](=[O:41])[N:4]([CH3:42])[C:3]1=[O:43].BrC1C=C(C=C([Cl:53])C=1)C#N>>[Cl:53][C:17]1[CH:16]=[C:13]([CH:12]=[C:11]([C:10]2[N:9]([CH2:19][CH2:20][S:21][C:22]([C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=3)([C:29]3[CH:30]=[CH:31][CH:32]=[CH:33][CH:34]=3)[C:35]3[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=3)[CH:8]=[C:7]3[C:6]=2[C:5](=[O:41])[N:4]([CH3:42])[C:3](=[O:43])[N:2]3[CH3:1])[CH:18]=1)[C:14]#[N:15]