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结构：Cc1noc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1NC(=O)OC(C)c1ccccc1Cl
HCID67350448

{3-Methyl-5-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-isoxazol-4-yl}-carbamic acid 1-(2-chloro-phenyl)-ethyl ester

1-(2-chlorophenyl)ethyl N-[3-methyl-5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,2-oxazol-4-yl]carbamate

C25H28BClN2O5482.8 g/mol
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IDENTITY

结构与身份

标准 SMILES
Cc1noc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)c1NC(=O)OC(C)c1ccccc1Cl
InChIKey
FMUYWQAVFBVVLU-UHFFFAOYSA-N
分子式
C25H28BClN2O5
平均分子量
482.8 g/mol
单同位素质量
482.1779799

COMPUTED

结构计算性质

已同步
极性表面积
82.8 Ų
氢键供体
1
氢键受体
6
可旋转键
6
重原子
34
形式电荷
0
复杂度
701

ALIASES

名称与别名

共 4 条
SCHEMBL2289421FMUYWQAVFBVVLU-UHFFFAOYSA-N{3-Methyl-5-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-isoxazol-4-yl}-carbamic acid 1-(2-chloro-phenyl)-ethyl ester{3-Methyl-5-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]isoxazol-4-yl}-carbamic acid 1-(2-chloro-phenyl)-ethyl ester

REACTIONS

参与反应

30 条
全部作为反应物作为生成物作为试剂作为催化剂作为溶剂
HRID93694

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 93694 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID96310

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 96310 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID119653

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 119653 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID163449

Training data from https://doi.org/10.1039/C8SC04228D (9/10)

作为反应物
HRID 163449 方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

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HRID299450

Training data from https://doi.org/10.1039/C8SC04228D (8/10)

作为反应物
HRID 299450 方程式

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

查看条件与参与物