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HRID50675

反应详情

EQUATION

反应方程式

HRID 50675 的结构方程式

REACTANTS

反应物

2
结构：N#Cc1cncc(Br)c1
HCID736793

5-bromonicotinonitrile

C6H3BrN2

结构：CC1(C)OC(=O)Nc2ccc(B(O)O)cc21
HCID10987806

(4,4-Dimethyl-2-oxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)boronic acid

C10H12BNO4

PRODUCTS

生成物

1
结构：CC1(C)OC(=O)Nc2ccc(-c3cncc(C#N)c3)cc21
HCID9943558

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

1
结构：O
溶剂HCID962

Water

H2O

PROCEDURE

实验过程

Prepared from (1,4-dihydro-4,4-dimethyl-2-oxo-2H-3,1-benzoxazin-6-yl)boronic acid and 3-bromo-5-cyanopyridine according to Procedure B. Off-white solid: mp 290-291° C.; 1H-NMR (DMSO-d6) δ 10.41 (s, 1H, D2O exchangeable), 9.21 (d, 1H, J=2.2 Hz), 8.97 (d, 1H, J=1.7 Hz), 8.68 (t, 1H, J=2.1 Hz), 7.76 (m, 2H), 7.01 (d, 1H, J=8.2 Hz), 1.70 (s, 6H); MS (ESI) m/z 278 (M−H, 96%). Anal. Calc. For C16H13N3O2.0.2 H2O: C, 67.94; H, 4.77; N, 14.85. Found: C, 68.04; H, 4.70; N, 14.58.