HRID43082

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3761204

Isoquinoline-4-boronic acid

C9H8BNO2

HCID22330105

未命名化合物

结构：O=C(O)c1ccc(-c2cncc3ccccc23)c2nccnc12

HCID66914512

未命名化合物

PRODUCTS

生成物

结构：CCN1CCN(c2cccc(NC(=O)c3ccc(-c4cncc5ccccc45)c4nccnc34)c2)CC1

HCID44515669

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in analogy to the procedure described in Step 14.1 but using 3-(4-ethylpiperazin-1-yl)-aniline (Step 2.1) and 8-isoquinolin-4-yl-quinoxaline-5-carboxylic acid. The latter compound was synthesized as described in Steps 1.2-1.7 but using 4-isoquinolineboronic acid in Step 1.4. Title compound: ESI-MS: 489.2 [M+H]+; tR=11.28 min (System 2).

WORKUP

后处理

customThe title compound was prepared in analogy to the procedure
customThe latter compound was synthesized

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52ef3b22410d44a3bc3e8ff2635df5e4
来源数据集: uspto-grants-2013_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08536175B2
来源说明: uspto-grants-2013_09

反应 SMILES

[CH2:1]([N:3]1[CH2:8][CH2:7][N:6]([C:9]2[CH:10]=[C:11]([CH:13]=[CH:14][CH:15]=2)[NH2:12])[CH2:5][CH2:4]1)[CH3:2].[CH:16]1[C:25]2[C:20](=[CH:21][CH:22]=[CH:23][CH:24]=2)[C:19]([C:26]2[C:35]3[N:34]=[CH:33][CH:32]=[N:31][C:30]=3[C:29]([C:36](O)=[O:37])=[CH:28][CH:27]=2)=[CH:18][N:17]=1.C1C2C(=CC=CC=2)C(B(O)O)=CN=1>>[CH2:1]([N:3]1[CH2:4][CH2:5][N:6]([C:9]2[CH:10]=[C:11]([NH:12][C:36]([C:29]3[C:30]4[N:31]=[CH:32][CH:33]=[N:34][C:35]=4[C:26]([C:19]4[C:20]5[C:25](=[CH:24][CH:23]=[CH:22][CH:21]=5)[CH:16]=[N:17][CH:18]=4)=[CH:27][CH:28]=3)=[O:37])[CH:13]=[CH:14][CH:15]=2)[CH2:7][CH2:8]1)[CH3:2]