HRID1517818

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID243

Benzoic acid

C7H6O2

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

HCID59491006

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)[C@H](C)N)n(-c5ccccc5)c4=O)cc3F)ccnc2c1.O=C(O)c1ccccc1

HCID66670651

未命名化合物

PROCEDURE

实验过程

The title compound was prepared according to the procedure described in Example 13 Step 3 by using (2S)—(S)-1-(4-(4-(7-methoxyquinolin-4-yloxy)-3-fluoro-phenylcarbamoyl)-2,3-dihydro-5-methyl-3-oxo-2-phenylpyrazol-1-yl)propan-2-yl2-aminopropanoate (61.3 mg, 0.1 mmol) and benzoic acid (48.8 mg, 0.4 mmol, Shantou Xilong Chemical Factory). The title compound was obtained as a pale yellow solid (64.1 mg, 75%).

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-49179f9cd6d2465fb0f432ec0dc439a4
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][O:2][C:3]1[CH:12]=[C:11]2[C:6]([C:7]([O:13][C:14]3[CH:19]=[CH:18][C:17]([NH:20][C:21]([C:23]4[C:24](=[O:44])[N:25]([C:38]5[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=5)[N:26]([CH2:29][C@@H:30]([O:32][C:33](=[O:37])[C@@H:34]([NH2:36])[CH3:35])[CH3:31])[C:27]=4[CH3:28])=[O:22])=[CH:16][C:15]=3[F:45])=[CH:8][CH:9]=[N:10]2)=[CH:5][CH:4]=1.[C:46]([OH:54])(=[O:53])[C:47]1[CH:52]=[CH:51][CH:50]=[CH:49][CH:48]=1>>[C:46]([OH:54])(=[O:53])[C:47]1[CH:52]=[CH:51][CH:50]=[CH:49][CH:48]=1.[F:45][C:15]1[CH:16]=[C:17]([NH:20][C:21]([C:23]2[C:24](=[O:44])[N:25]([C:38]3[CH:39]=[CH:40][CH:41]=[CH:42][CH:43]=3)[N:26]([CH2:29][C@@H:30]([O:32][C:33](=[O:37])[C@@H:34]([NH2:36])[CH3:35])[CH3:31])[C:27]=2[CH3:28])=[O:22])[CH:18]=[CH:19][C:14]=1[O:13][C:7]1[C:6]2[C:11](=[CH:12][C:3]([O:2][CH3:1])=[CH:4][CH:5]=2)[N:10]=[CH:9][CH:8]=1