HRID449411

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3717197

Cyclopentanesulfonyl chloride

C5H9ClO2S

结构：CN1CCN(c2cc(-c3ccc4c(c3)CN(C(=O)OC3CCNCC3)CC4)nc(N)n2)CC1.Cl

HCID67541330

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2cc(-c3ccc4c(c3)CN(C(=O)OC3CCN(S(=O)(=O)C5CCCC5)CC3)CC4)nc(N)n2)CC1

HCID49779703

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 67, Step 4 starting from cyclopentanesulfonyl chloride (Aldrich, Cat. #656607) and piperidin-4-yl 7-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydroisoquinoline-2(1H)-carboxylate HCl salt. Analytic LCMS (M+H)+: m/z=584.2.

WORKUP

后处理

customThis compound was prepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6bc4d1fb450942cf8a2fafac4518d7cb
来源数据集: uspto-grants-2013_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08481732B2
来源说明: uspto-grants-2013_07

反应 SMILES

[CH:1]1([S:6](Cl)(=[O:8])=[O:7])[CH2:5][CH2:4][CH2:3][CH2:2]1.Cl.[NH2:11][C:12]1[N:17]=[C:16]([C:18]2[CH:27]=[C:26]3[C:21]([CH2:22][CH2:23][N:24]([C:28]([O:30][CH:31]4[CH2:36][CH2:35][NH:34][CH2:33][CH2:32]4)=[O:29])[CH2:25]3)=[CH:20][CH:19]=2)[CH:15]=[C:14]([N:37]2[CH2:42][CH2:41][N:40]([CH3:43])[CH2:39][CH2:38]2)[N:13]=1>>[NH2:11][C:12]1[N:17]=[C:16]([C:18]2[CH:27]=[C:26]3[C:21]([CH2:22][CH2:23][N:24]([C:28]([O:30][CH:31]4[CH2:36][CH2:35][N:34]([S:6]([CH:1]5[CH2:5][CH2:4][CH2:3][CH2:2]5)(=[O:8])=[O:7])[CH2:33][CH2:32]4)=[O:29])[CH2:25]3)=[CH:20][CH:19]=2)[CH:15]=[C:14]([N:37]2[CH2:42][CH2:41][N:40]([CH3:43])[CH2:39][CH2:38]2)[N:13]=1