HRID1798493

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID61668

Boronic acid

H3BO2

结构：CC1(C)OB(c2ccc(C(=O)N3CCNCC3)cc2)OC1(C)C

HCID17749913

(Piperazin-1-yl)[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone

C17H25BN2O3

结构：CC(C)(C)Nc1cc(-c2cncc(-c3ccc(C(=O)N4CCNCC4)cc3)c2)cc(-c2ccccn2)n1

HCID68762609

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(C(=O)c2ccc(-c3cncc(-c4cc(NC(C)(C)C)nc(-c5ccccn5)c4)c3)cc2)CC1

HCID68763603

未命名化合物

PROCEDURE

实验过程

The title compound is prepared analogously to [4-(6′-tert-Butylamino-[2,2′;4′,3″]terpyridin-5″-yl)-phenyl]-piperazin-1-yl-methanone (Example 2.48) by replacing piperazin-1-yl-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-methanone with the appropriate boronic acid.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-acdf0299bd44494bbc0f2cb404b7b056
来源数据集: uspto-grants-2013_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08343966B2
来源说明: uspto-grants-2013_01

反应 SMILES

[C:1]([NH:5][C:6]1[N:11]=[C:10]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][N:13]=2)[CH:9]=[C:8]([C:18]2[CH:19]=[N:20][CH:21]=[C:22]([C:24]3[CH:29]=[CH:28][C:27]([C:30]([N:32]4[CH2:37][CH2:36][NH:35][CH2:34][CH2:33]4)=[O:31])=[CH:26][CH:25]=3)[CH:23]=2)[CH:7]=1)([CH3:4])([CH3:3])[CH3:2].N1(C(C2C=CC(B3OC(C)(C)C(C)(C)O3)=CC=2)=O)CCNC[CH2:39]1.B(O)O>>[C:1]([NH:5][C:6]1[N:11]=[C:10]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][N:13]=2)[CH:9]=[C:8]([C:18]2[CH:19]=[N:20][CH:21]=[C:22]([C:24]3[CH:25]=[CH:26][C:27]([C:30]([N:32]4[CH2:37][CH2:36][N:35]([CH3:39])[CH2:34][CH2:33]4)=[O:31])=[CH:28][CH:29]=3)[CH:23]=2)[CH:7]=1)([CH3:4])([CH3:2])[CH3:3]