HRID2090476

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CN1C(=O)COc2ccc(B3OC(C)(C)C(C)(C)O3)cc21

HCID53217205

4-Methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,4-benzoxazin-3(4H)-one

C15H20BNO4

结构：CC1Cc2ccc(Br)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1

HCID59402317

未命名化合物

PRODUCTS

生成物

结构：CC1Cc2ccc(-c3ccc4c(c3)N(C)C(=O)CO4)cc2CN1c1cc(N2CCN(C)CC2)nc(N)n1

HCID59402274

未命名化合物

PROCEDURE

实验过程

This compound was prepared by using procedures analogous to those described for the synthesis of Example 129, Step 4 starting from 4-(7-bromo-3-methyl-3,4-dihydroisoquinolin-2(1H)-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine and 4-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,4-benzoxazin-3(4H)-one. LCMS (M+H)+: m/z=500.2.

WORKUP

后处理

customThis compound was prepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a71201f9992d44cda350488396e2ceb2
来源数据集: uspto-grants-2013_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08436008B2
来源说明: uspto-grants-2013_05

反应 SMILES

Br[C:2]1[CH:11]=[C:10]2[C:5]([CH2:6][CH:7]([CH3:26])[N:8]([C:12]3[CH:17]=[C:16]([N:18]4[CH2:23][CH2:22][N:21]([CH3:24])[CH2:20][CH2:19]4)[N:15]=[C:14]([NH2:25])[N:13]=3)[CH2:9]2)=[CH:4][CH:3]=1.[CH3:27][N:28]1[C:33]2[CH:34]=[C:35](B3OC(C)(C)C(C)(C)O3)[CH:36]=[CH:37][C:32]=2[O:31][CH2:30][C:29]1=[O:47]>>[NH2:25][C:14]1[N:13]=[C:12]([N:8]2[CH:7]([CH3:26])[CH2:6][C:5]3[C:10](=[CH:11][C:2]([C:35]4[CH:36]=[CH:37][C:32]5[O:31][CH2:30][C:29](=[O:47])[N:28]([CH3:27])[C:33]=5[CH:34]=4)=[CH:3][CH:4]=3)[CH2:9]2)[CH:17]=[C:16]([N:18]2[CH2:23][CH2:22][N:21]([CH3:24])[CH2:20][CH2:19]2)[N:15]=1