HRID1772608

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Brc1cnc(N2CCOCC2)c2nc(CCc3ccc4ccccc4n3)cn12

HCID117727895

未命名化合物

结构：Cn1nc(-c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)n(COCC[Si](C)(C)C)c1=O

HCID131734177

未命名化合物

PRODUCTS

生成物

结构：Cn1nc(-c2ccc(-c3cnc(N4CCOCC4)c4nc(CCc5ccc6ccccc6n5)cn34)cc2)n(COCC[Si](C)(C)C)c1=O

HCID123189249

未命名化合物

收率 45.7%

PROCEDURE

实验过程

Compound 3a (350 mg, 0.760 mmol) was subjected to Suzuki coupling conditions with 1-methyl-3-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-[[2-(trimethylsilyl)ethoxy]methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one (983 mg, 2.28 mmol) using the reaction conditions described in Example 1, Step G to obtain compound 10e as a yellow solid (230 mg, 43% yield). Mass Spectrum (LCMS, ESI pos.): Calcd. for C36H42N8O3S: 633.3 (M+H). Found 633.5.

WORKUP

后处理

customthe reaction conditions

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2de0704307e14117b98943a5790c6121
来源数据集: uspto-grants-2016_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09249163B2
来源说明: uspto-grants-2016_02

反应 SMILES

Br[C:2]1[N:7]2[CH:8]=[C:9]([CH2:11][CH2:12][C:13]3[CH:22]=[CH:21][C:20]4[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=4)[N:14]=3)[N:10]=[C:6]2[C:5]([N:23]2[CH2:28][CH2:27][O:26][CH2:25][CH2:24]2)=[N:4][CH:3]=1.[CH3:29][N:30]1[C:34](=[O:35])[N:33]([CH2:36][O:37][CH2:38][CH2:39][Si:40]([CH3:43])([CH3:42])[CH3:41])[C:32]([C:44]2[CH:49]=[CH:48][C:47](B3OC(C)(C)C(C)(C)O3)=[CH:46][CH:45]=2)=[N:31]1>>[CH3:29][N:30]1[C:34](=[O:35])[N:33]([CH2:36][O:37][CH2:38][CH2:39][Si:40]([CH3:41])([CH3:42])[CH3:43])[C:32]([C:44]2[CH:49]=[CH:48][C:47]([C:2]3[N:7]4[CH:8]=[C:9]([CH2:11][CH2:12][C:13]5[CH:22]=[CH:21][C:20]6[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=6)[N:14]=5)[N:10]=[C:6]4[C:5]([N:23]4[CH2:24][CH2:25][O:26][CH2:27][CH2:28]4)=[N:4][CH:3]=3)=[CH:46][CH:45]=2)=[N:31]1