HRID606389

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：NCc1ccnc(OCCCc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1

HCID66768769

未命名化合物

结构：NCc1cccc(COCc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1

HCID66769101

未命名化合物

HCID135437466

Ethyl 4-oxo-1,4-dihydroquinazoline-2-carboxylate

C11H10N2O3

HCID136054489

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc2nc(C(=O)NCc3cccc(COCc4nc[nH]n4)c3)[nH]c(=O)c2c1

HCID178509496

未命名化合物

PROCEDURE

实验过程

By a method similar to that in Example 22, and using, instead of ethyl 4-oxo-3,4-dihydro-2-quinazolinecarboxylate, ethyl 6-cyano-4-oxo-3,4-dihydroquinazoline-2-carboxylate obtained in Reference Example 51 and using, instead of 1-[2-({3-[1-(triphenylmethyl)-1H-1,2,4-triazol-3-yl]propyl}oxy)pyridin-4-yl]methaneamine, 1-{3-[({[1-(triphenylmethyl)-1H-1,2,4-triazol-3-yl]methyl}oxy)methyl]phenyl}methanamine obtained in Reference Example 38, the title compound was obtained as a white powder (20 mg, 6%).

WORKUP

后处理

customobtained in Reference Example 51
customobtained in Reference Example 38

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96196a44d6b243d7a712699bb14ca2fa
来源数据集: uspto-grants-2011_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07915267B2
来源说明: uspto-grants-2011_03

反应 SMILES

O=C1C2C(=CC=CC=2)N=C(C(OCC)=O)N1.[C:17]([C:19]1[CH:20]=[C:21]2[C:26](=[CH:27][CH:28]=1)[N:25]=[C:24]([C:29]([O:31]CC)=O)[NH:23][C:22]2=[O:34])#[N:18].C1(C(C2C=CC=CC=2)(C2C=CC=CC=2)N2C=NC(CCCOC3C=C(CN)C=CN=3)=N2)C=CC=CC=1.C1(C(C2C=CC=CC=2)(C2C=CC=CC=2)[N:78]2[CH:82]=[N:81][C:80]([CH2:83][O:84][CH2:85][C:86]3[CH:87]=[C:88]([CH2:92][NH2:93])[CH:89]=[CH:90][CH:91]=3)=[N:79]2)C=CC=CC=1>>[C:17]([C:19]1[CH:20]=[C:21]2[C:26](=[CH:27][CH:28]=1)[N:25]=[C:24]([C:29]([NH:93][CH2:92][C:88]1[CH:89]=[CH:90][CH:91]=[C:86]([CH2:85][O:84][CH2:83][C:80]3[N:81]=[CH:82][NH:78][N:79]=3)[CH:87]=1)=[O:31])[NH:23][C:22]2=[O:34])#[N:18]