HRID873834

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67456616

未命名化合物

结构：CCOC(=O)c1nn(Cc2ccc(OC)cc2)c(C)c1C(O)c1ccc(Cl)cc1

HCID117702762

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1nn(Cc2ccc(OC)cc2)c(C)c1C(Nc1cc(C)c(=O)n(C)c1)c1ccc(Cl)cc1

HCID117702677

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID21226129

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in analogy to the procedure described in Step 10.3 using ethyl 4-((4-chlorophenyl)(hydroxy)methyl)-1-(4-methoxybenzyl)-5-methyl-1H-pyrazole-3-carboxylate (Step 1.3) and 5-amino-1,3-dimethylpyridin-2(1H)-one (Step 20.2). tR: 4.94 min (HPLC 1); tR: 1.13 min (LC-MS 2); ESI-MS: 535 [M+H]+ (LC-MS 2); Rf=0.45 (CH2Cl2/MeOH 9:1).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55968b4d5a744401a957572359b06623
来源数据集: uspto-grants-2015_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08975417B2
来源说明: uspto-grants-2015_03

反应 SMILES

[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8](O)[C:9]2[C:10]([C:24]([O:26][CH2:27][CH3:28])=[O:25])=[N:11][N:12]([CH2:15][C:16]3[CH:21]=[CH:20][C:19]([O:22][CH3:23])=[CH:18][CH:17]=3)[C:13]=2[CH3:14])=[CH:4][CH:3]=1.[NH2:30][C:31]1[CH:32]=[C:33]([CH3:39])[C:34](=[O:38])[N:35]([CH3:37])[CH:36]=1>C(Cl)Cl.CO>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([NH:30][C:31]2[CH:32]=[C:33]([CH3:39])[C:34](=[O:38])[N:35]([CH3:37])[CH:36]=2)[C:9]2[C:10]([C:24]([O:26][CH2:27][CH3:28])=[O:25])=[N:11][N:12]([CH2:15][C:16]3[CH:21]=[CH:20][C:19]([O:22][CH3:23])=[CH:18][CH:17]=3)[C:13]=2[CH3:14])=[CH:4][CH:3]=1