HRID1994417

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID122831

5-Methyl-2-pyrazinecarboxylic acid

C6H6N2O2

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：Cc1cnc(C(=O)NC2CN(S(=O)(=O)c3ccc(Cl)cc3Cl)C3CN(C(C)C)C(=O)C(Cc4ccc(Cl)cc4)N3C2=O)cn1

HCID59134190

未命名化合物

PROCEDURE

实验过程

Synthesis took place in analogy to Example 29e using 5-methylpyrazine-2-carboxylic acid and 3-amino-6-(4-chlorobenzyl)-1-(2,4-dichlorobenzenesulfonyl)-8-isopropylhexahydropyrazino[1,2-a]pyrimidine-4,7-dione. The desired product is obtained with MW=678.10 (calculated, monoisotopic); measured value (M+H)+: 679.06

WORKUP

后处理

customSynthesis

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7998245f253443958cf73e795e2edd7a
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

[CH3:1][C:2]1[N:3]=[CH:4][C:5]([C:8]([OH:10])=O)=[N:6][CH:7]=1.[NH2:11][CH:12]1[C:17](=[O:18])[N:16]2[CH:19]([CH2:27][C:28]3[CH:33]=[CH:32][C:31]([Cl:34])=[CH:30][CH:29]=3)[C:20](=[O:26])[N:21]([CH:23]([CH3:25])[CH3:24])[CH2:22][CH:15]2[N:14]([S:35]([C:38]2[CH:43]=[CH:42][C:41]([Cl:44])=[CH:40][C:39]=2[Cl:45])(=[O:37])=[O:36])[CH2:13]1>>[Cl:34][C:31]1[CH:32]=[CH:33][C:28]([CH2:27][CH:19]2[N:16]3[C:17](=[O:18])[CH:12]([NH:11][C:8]([C:5]4[CH:4]=[N:3][C:2]([CH3:1])=[CH:7][N:6]=4)=[O:10])[CH2:13][N:14]([S:35]([C:38]4[CH:43]=[CH:42][C:41]([Cl:44])=[CH:40][C:39]=4[Cl:45])(=[O:37])=[O:36])[CH:15]3[CH2:22][N:21]([CH:23]([CH3:25])[CH3:24])[C:20]2=[O:26])=[CH:29][CH:30]=1