HRID1912818

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID637605

Boc-D-valine

C10H19NO4

结构：Cl.Nc1ncnc2c1ncn2-c1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1

HCID23155120

未命名化合物

PRODUCTS

生成物

结构：CC(C)[C@@H](N)C[N-]c1ncnc2c1ncn2-c1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1.Cl

HCID178448325

未命名化合物

PROCEDURE

实验过程

The titled compound can be synthesized from 1-[4-(6-amino-purin-9-yl)phenyl]-3-(4-chloro-3-(trifluoromethyl)phenyl)urea hydrochloride and tert-butoxycarbonyl-D-valine by using the same method as in Example 96.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b9071a86e64a4f0b91906a8b5df286c6
来源数据集: uspto-grants-2013_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08609656B2
来源说明: uspto-grants-2013_12

反应 SMILES

Cl.[NH2:2][C:3]1[N:11]=[CH:10][N:9]=[C:8]2[C:4]=1[N:5]=[CH:6][N:7]2[C:12]1[CH:17]=[CH:16][C:15]([NH:18][C:19]([NH:21][C:22]2[CH:27]=[CH:26][C:25]([Cl:28])=[C:24]([C:29]([F:32])([F:31])[F:30])[CH:23]=2)=[O:20])=[CH:14][CH:13]=1.C(OC([NH:40][C@@H:41]([C:45](O)=O)[CH:42]([CH3:44])[CH3:43])=O)(C)(C)C>>[ClH:28].[NH2:40][C@H:41]([CH:42]([CH3:44])[CH3:43])[CH2:45][N-:2][C:3]1[N:11]=[CH:10][N:9]=[C:8]2[C:4]=1[N:5]=[CH:6][N:7]2[C:12]1[CH:13]=[CH:14][C:15]([NH:18][C:19]([NH:21][C:22]2[CH:27]=[CH:26][C:25]([Cl:28])=[C:24]([C:29]([F:31])([F:32])[F:30])[CH:23]=2)=[O:20])=[CH:16][CH:17]=1