HRID990145

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11608075

4-(trifluoromethyl)pyrimidine-5-carboxylic Acid

C6H3F3N2O2

结构：COC(=O)[C@H](Cc1ccc(N)cc1)NC(=S)C1(CCCCS(C)(=O)=O)CCC1

HCID53651737

未命名化合物

结构：COC(=O)[C@H](Cc1ccc(NC(=O)c2cnc(C(F)(F)F)nc2)cc1)NC(=S)C1(CCCCS(C)(=O)=O)CCC1

HCID54401295

未命名化合物

PRODUCTS

生成物

结构：COC(=O)[C@H](Cc1ccc(NC(=O)c2cncnc2C(F)(F)F)cc1)NC(=S)C1(CCCCS(C)(=O)=O)CCC1

HCID12042617

未命名化合物

收率 32%

PROCEDURE

实验过程

Using the general procedure described in example 45, starting with 4-(trifluoromethyl)pyrimidine-5-carboxylic acid and 4-amino-N-[[1-[4-(methylsulfonyl)butyl]cyclobutyl]thioxomethyl)-L-phenylalanine methyl ester, N-[[1-[4-(methylsulfonyl)butyl]cyclobutyl]thioxomethyl]-4-[[[2-(trifluoromethyl) pyrimidin-5-yl]carbonyl]amino]-L-phenylalanine methyl ester was prepared in 32% yield as an amorphous colorless solid. HR MS: Obs. mass, 601.1766. Calcd. mass, 601.1766 (M+H).

WORKUP

后处理

customwas prepared in 32% yield as an amorphous colorless solid

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49d952e4cd094551be3c147e7be7587c
来源数据集: uspto-grants-2002_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06458844B2
来源说明: uspto-grants-2002_10

反应 SMILES

[F:1][C:2]([F:13])([F:12])[C:3]1[C:8]([C:9]([OH:11])=O)=[CH:7][N:6]=[CH:5][N:4]=1.[CH3:14][O:15][C:16](=[O:41])[C@H:17]([CH2:33][C:34]1[CH:39]=[CH:38][C:37]([NH2:40])=[CH:36][CH:35]=1)[NH:18][C:19]([C:21]1([CH2:25][CH2:26][CH2:27][CH2:28][S:29]([CH3:32])(=[O:31])=[O:30])[CH2:24][CH2:23][CH2:22]1)=[S:20].COC(=O)[C@H](CC1C=CC(NC(C2C=NC(C(F)(F)F)=NC=2)=O)=CC=1)NC(C1(CCCCS(C)(=O)=O)CCC1)=S>>[CH3:14][O:15][C:16](=[O:41])[C@H:17]([CH2:33][C:34]1[CH:39]=[CH:38][C:37]([NH:40][C:9]([C:8]2[C:3]([C:2]([F:1])([F:13])[F:12])=[N:4][CH:5]=[N:6][CH:7]=2)=[O:11])=[CH:36][CH:35]=1)[NH:18][C:19]([C:21]1([CH2:25][CH2:26][CH2:27][CH2:28][S:29]([CH3:32])(=[O:31])=[O:30])[CH2:22][CH2:23][CH2:24]1)=[S:20]