HRID1994419

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID80971

Quinoline-3-carboxylic acid

C10H7NO2

结构：CC(C)N1CC2N(C(=O)C(N)CN2S(=O)(=O)c2ccc(Cl)cc2Cl)C(Cc2ccc(Cl)cc2)C1=O

HCID59134252

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CC2N(C(=O)C(NC(=O)c3cnc4ccccc4c3)CN2S(=O)(=O)c2ccc(Cl)cc2Cl)C(Cc2ccc(Cl)cc2)C1=O

HCID59134221

未命名化合物

PROCEDURE

实验过程

Synthesis took place in analogy to Example 29e using 3-quinolinecarboxylic acid and 3-amino-6-(4-chlorobenzyl)-1-(2,4-dichlorobenzenesulfonyl)-8-isopropyl-hexahydropyrazino[1,2-a]pyrimidine-4,7-dione. The desired product is obtained with MW=713.10 (calculated, monoisotopic); measured value (M+H)+:714

WORKUP

后处理

customSynthesis

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50b58894a3de4dfc8465b6cd9895a5ed
来源数据集: uspto-grants-2010_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07652007B2
来源说明: uspto-grants-2010_01

反应 SMILES

[N:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[C:3]([C:11]([OH:13])=O)[CH:2]=1.[NH2:14][CH:15]1[C:20](=[O:21])[N:19]2[CH:22]([CH2:30][C:31]3[CH:36]=[CH:35][C:34]([Cl:37])=[CH:33][CH:32]=3)[C:23](=[O:29])[N:24]([CH:26]([CH3:28])[CH3:27])[CH2:25][CH:18]2[N:17]([S:38]([C:41]2[CH:46]=[CH:45][C:44]([Cl:47])=[CH:43][C:42]=2[Cl:48])(=[O:40])=[O:39])[CH2:16]1>>[Cl:37][C:34]1[CH:35]=[CH:36][C:31]([CH2:30][CH:22]2[N:19]3[C:20](=[O:21])[CH:15]([NH:14][C:11]([C:3]4[CH:2]=[N:1][C:10]5[C:5]([CH:4]=4)=[CH:6][CH:7]=[CH:8][CH:9]=5)=[O:13])[CH2:16][N:17]([S:38]([C:41]4[CH:46]=[CH:45][C:44]([Cl:47])=[CH:43][C:42]=4[Cl:48])(=[O:40])=[O:39])[CH:18]3[CH2:25][N:24]([CH:26]([CH3:28])[CH3:27])[C:23]2=[O:29])=[CH:32][CH:33]=1