HRID1772604

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(=O)C(O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

HCID72221177

未命名化合物

结构：Brc1cnc(N2CCOCC2)c2nc(CCc3ccc4ccccc4n3)cn12

HCID117727895

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(O)c1ccc(-c2cnc(N3CCOCC3)c3nc(CCc4ccc5ccccc5n4)cn23)cc1

HCID117727871

未命名化合物

收率 75.4%

PROCEDURE

实验过程

Compound 3a (350 mg, 0.760 mmol) was subjected to Suzuki coupling conditions with methyl 2-hydroxy-2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate (666 mg, 2.28 mmol) using the reaction conditions described in Example 1, Step G to obtain compound 9c (300 mg, 72% yield). Mass Spectrum (LCMS, ESI pos.): Calcd. for C30H29N5O4: 524.2 (M+H). Found 524.2.

WORKUP

后处理

customthe reaction conditions

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d2365da2aaeb42a286661a2e1dc963c9
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.[OH:29][CH:30]([C:35]1[CH:40]=[CH:39][C:38](B2OC(C)(C)C(C)(C)O2)=[CH:37][CH:36]=1)[C:31]([O:33][CH3:34])=[O:32]>>[OH:29][CH:30]([C:35]1[CH:36]=[CH:37][C:38]([C:2]2[N:7]3[CH:8]=[C:9]([CH2:11][CH2:12][C:13]4[CH:22]=[CH:21][C:20]5[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=5)[N:14]=4)[N:10]=[C:6]3[C:5]([N:23]3[CH2:24][CH2:25][O:26][CH2:27][CH2:28]3)=[N:4][CH:3]=2)=[CH:39][CH:40]=1)[C:31]([O:33][CH3:34])=[O:32]