huagongshe.com
结构：Cc1cc(C)c2oc(Nc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)nc2c1
HCID11581347

(5,7-Dimethyl-benzoxazol-2-yl)-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amine

5,7-dimethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-benzoxazol-2-amine

C21H25BN2O3364.2 g/mol
查看相关反应登录后使用结构检索

IDENTITY

结构与身份

标准 SMILES
Cc1cc(C)c2oc(Nc3ccc(B4OC(C)(C)C(C)(C)O4)cc3)nc2c1
InChIKey
XBLALNYMQWYNSJ-UHFFFAOYSA-N
分子式
C21H25BN2O3
平均分子量
364.2 g/mol
单同位素质量
364.1958228

COMPUTED

结构计算性质

已同步
极性表面积
56.5 Ų
氢键供体
1
氢键受体
5
可旋转键
3
重原子
27
形式电荷
0
复杂度
520

ALIASES

名称与别名

共 8 条
SCHEMBL3528584XBLALNYMQWYNSJ-UHFFFAOYSA-NDB-095092(5,7-dimethyl-benzoxazol-2-yl)-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-amine461699-06-95,7-dimethyl-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3-benzoxazol-2-amineN-(5,7-dimethyl-1,3-benzoxazol-2-yl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]amineN2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5,7-dimethyl-1,3-benzoxazol-2-amine

REACTIONS

参与反应

32 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
HRID168815

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

作为生成物
HRID 168815 方程式

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

查看条件与参与物
HRID174831

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物
HRID 174831 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID192262

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物
HRID 192262 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID192392

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物
HRID 192392 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID199289

Training data from https://doi.org/10.1039/C8SC04228D (6/10)

作为反应物
HRID 199289 方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID668175

Training data from https://doi.org/10.1039/C8SC04228D (3/10)

作为反应物
HRID 668175 方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

查看条件与参与物
HRID677165

Training data from https://doi.org/10.1039/C8SC04228D (3/10)

作为反应物
HRID 677165 方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

查看条件与参与物