反应SMILES:Cc1c(N2C(=O)N3CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@]3(C)C2=O)ccc(C#N)c1Cl
HCID59754338

(7R,7aR)-4-[7-(tert-Butyldimethylsilanyloxy)-7a-methyl-1,3-dioxotetrahydropyrrolo[1,2-c]imidazol-2-yl]-2-chloro-3-methylbenzonitrile

4-[(7R,7aR)-7-[tert-butyl(dimethyl)silyl]oxy-7a-methyl-1,3-dioxo-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-2-yl]-2-chloro-3-methylbenzonitrile

C21H28ClN3O3Si434 g/mol

IDENTITY

结构与身份

标准SMILES
Cc1c(N2C(=O)N3CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@]3(C)C2=O)ccc(C#N)c1Cl
InChIKey
BEILWLKMLRIBGC-IIBYNOLFSA-N
分子式
C21H28ClN3O3Si
平均分子量
434 g/mol
单同位素质量
433.158846

COMPUTED

结构计算性质

已同步
极性表面积
73.6 Ų
氢键供体
0
氢键受体
4
可旋转键
4
重原子
29
形式电荷
0
复杂度
758

ALIASES

名称与别名

共 4 条
SCHEMBL2956718BEILWLKMLRIBGC-IIBYNOLFSA-N(7R,7aR)-4-[7-(tert-Butyldimethylsilanyloxy)-7a-methyl-1,3-dioxotetrahydropyrrolo[1,2-c]imidazol-2-yl]-2-chloro-3-methyl-benzonitrile(7R,7aR)-4-[7-(tert-Butyldimethylsilanyloxy)-7a-methyl-1,3-dioxotetrahydropyrrolo[1,2-c]imidazol-2-yl]-2-chloro-3-methylbenzonitrile

REACTIONS

参与反应

2
HRID501613

uspto-grants-2010_08

作为反应物
HRID 501613 方程式

uspto-grants-2010_08 · 10.6084/m9.figshare.5104873.v1 · US07772267B2

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HRID751128

uspto-grants-2008_07

作为反应物
HRID 751128 方程式

uspto-grants-2008_07 · 10.6084/m9.figshare.5104873.v1 · US07405234B2

查看