HRID707582

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC1=C(C#N)[C@@H](c2ccc(C#N)cc2S(C)(=O)=O)N(C(=O)NCCO)C(=O)N1c1cccc(C(F)(F)F)c1

HCID42636621

未命名化合物

结构：CC1=C(C#N)[C@@H](c2ccc(C#N)cc2S(C)(=O)=O)NC(=O)N1c1cccc(C(F)(F)F)c1

HCID42642360

未命名化合物

结构：CN1CC2=C(C1=O)C(c1ccc(C#N)cc1S(C)(=O)=O)NC(=O)N2c1cccc(C(F)(F)F)c1

HCID58133825

未命名化合物

PRODUCTS

生成物

结构：CN1CC2=C(C1=O)C(c1ccc(C#N)cc1S(C)(=O)=O)N(C(=O)NCCO)C(=O)N2c1cccc(C(F)(F)F)c1

HCID58133700

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from (rac)-4-{6-methyl-2,5-dioxo-1-[3-(trifluoromethyl)phenyl]-2,3,4,5,6,7-hexahydro-1H-pyrrolo[3,4-d]pyrimidin-4-yl}-3-(methylsulfonyl)benzonitrile (Example 34) analogously to the multi-step preparation of (6S)-5-cyano-6-[4-cyano-2-(methylsulfonyl)phenyl]-N-(2-hydroxyethyl)-4-methyl-2-oxo-3-[3-(trifluoromethyl)phenyl]-3,6-dihydropyrimidine-1(2H)-carboxamide (Example 10) from (4S)-4-[4-cyano-2-(methylsulfonyl)phenyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (Example 6).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06ad2c2c8aea408d82915419f57da1fc
来源数据集: uspto-grants-2015_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09174997B2
来源说明: uspto-grants-2015_11

反应 SMILES

[CH3:1][N:2]1[C:10](=[O:11])[C:9]2[CH:8]([C:12]3[CH:19]=[CH:18][C:15]([C:16]#[N:17])=[CH:14][C:13]=3[S:20]([CH3:23])(=[O:22])=[O:21])[NH:7][C:6](=[O:24])[N:5]([C:25]3[CH:30]=[CH:29][CH:28]=[C:27]([C:31]([F:34])([F:33])[F:32])[CH:26]=3)[C:4]=2[CH2:3]1.C(C1[C@@H](C2C=CC(C#N)=CC=2S(C)(=O)=O)N([C:55]([NH:57][CH2:58][CH2:59][OH:60])=[O:56])C(=O)N(C2C=CC=C(C(F)(F)F)C=2)C=1C)#N.C(C1C=CC([C@@H]2C(C#N)=C(C)N(C3C=CC=C(C(F)(F)F)C=3)C(=O)N2)=C(S(C)(=O)=O)C=1)#N>>[C:16]([C:15]1[CH:18]=[CH:19][C:12]([CH:8]2[N:7]([C:55]([NH:57][CH2:58][CH2:59][OH:60])=[O:56])[C:6](=[O:24])[N:5]([C:25]3[CH:30]=[CH:29][CH:28]=[C:27]([C:31]([F:34])([F:32])[F:33])[CH:26]=3)[C:4]3[CH2:3][N:2]([CH3:1])[C:10](=[O:11])[C:9]2=3)=[C:13]([S:20]([CH3:23])(=[O:21])=[O:22])[CH:14]=1)#[N:17]