HRID1517826

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

结构：COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C[C@H](C)OC(=O)CN(C)C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1

HCID59491008

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(C[C@H](C)OC(=O)CN(C)C)n(-c5ccccc5)c4=O)cc3F)ccnc2c1.Cc1ccc(S(=O)(=O)O)cc1

HCID86645597

未命名化合物

PROCEDURE

实验过程

The title compound was prepared according to the procedure described in Example 35 step 2 by using the compound of (S)-1-(4-(4-(7-methoxyquinolin-4-yloxy)-3-fluoro-phenylcarbamoyl)-2,3-dihydro-5-methyl-3-oxo-2-phenylpyrazol-1-yl)propan-2-yl 2-(dimethylamino)acetate (62.9 mg, 0.1 mmol) and p-toluene sulphonic acid (34.6 mg, 0.2 mmol, Shanghai chemical reagent factory). The desired compound was abtained as a yellow solid (56.1 mg, 57%).

WORKUP

后处理

customThe title compound was prepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8cc40c9f506d4b9c99cad632f31d7d26
来源数据集: uspto-grants-2012_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08232294B2
来源说明: uspto-grants-2012_07

反应 SMILES

[CH3:1][N:2]([CH3:46])[CH2:3][C:4]([O:6][C@@H:7]([CH3:45])[CH2:8][N:9]1[C:13]([CH3:14])=[C:12]([C:15](=[O:37])[NH:16][C:17]2[CH:22]=[CH:21][C:20]([O:23][C:24]3[C:33]4[C:28](=[CH:29][C:30]([O:34][CH3:35])=[CH:31][CH:32]=4)[N:27]=[CH:26][CH:25]=3)=[C:19]([F:36])[CH:18]=2)[C:11](=[O:38])[N:10]1[C:39]1[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=1)=[O:5].[C:47]1([CH3:57])[CH:52]=[CH:51][C:50]([S:53]([OH:56])(=[O:55])=[O:54])=[CH:49][CH:48]=1>>[CH3:57][C:47]1[CH:48]=[CH:49][C:50]([S:53]([OH:56])(=[O:55])=[O:54])=[CH:51][CH:52]=1.[CH3:46][N:2]([CH3:1])[CH2:3][C:4]([O:6][C@@H:7]([CH3:45])[CH2:8][N:9]1[C:13]([CH3:14])=[C:12]([C:15](=[O:37])[NH:16][C:17]2[CH:22]=[CH:21][C:20]([O:23][C:24]3[C:33]4[C:28](=[CH:29][C:30]([O:34][CH3:35])=[CH:31][CH:32]=4)[N:27]=[CH:26][CH:25]=3)=[C:19]([F:36])[CH:18]=2)[C:11](=[O:38])[N:10]1[C:39]1[CH:40]=[CH:41][CH:42]=[CH:43][CH:44]=1)=[O:5]