HRID571414

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID89524417

N-[(1S)-2-Methoxy-1-phenylethyl]urea

C10H14N2O2

结构：CCOC(=O)[C@@H]1C[C@H]1c1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Cl)ncc12

HCID131732820

未命名化合物

PRODUCTS

生成物

结构：COC[C@@H](NC(=O)Nc1cc2c(cn1)c([C@@H]1C[C@H]1C(=O)O)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1

HCID89525877

未命名化合物

PROCEDURE

实验过程

In a manner similar to that described in Example 30 (Step 1), trans-ethyl 2-(6-chloro-1-trityl-1H-pyrazolo[4,3-c]pyridin-3-yl)cyclopropanecarboxylate was reacted with (S)-1-(2-methoxy-1-phenylethyl)urea (BrettPhos precatalyst, KOtBu, dioxane, 80° C.) to provide trans-2-(6-(3-((S)-2-methoxy-1-phenylethyl)ureido)-1-trityl-1H-pyrazolo[4,3-c]pyridin-3-yl)cyclopropanecarboxylic acid. MS ESI calc'd. for C39H35N5O4[M+1]+ 638, found 638.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1cd38a321fea45379fe959d663b0be0d
来源数据集: uspto-grants-2015_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09023865B2
来源说明: uspto-grants-2015_05

反应 SMILES

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