HRID549351

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

结构：CN(C)C(On1nnc2cccnc21)=[N+](C)C.F[P-](F)(F)(F)(F)F

HCID9886157

Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)

C10H15F6N6OP

HCID22324125

5-(4-Fluorophenyl)-2-methyl-1,3-thiazole-4-carboxylic acid

C11H8FNO2S

结构：CC(C)(C)OC(=O)N1CCNC(CC(=O)OCC(=O)c2ccc(F)cc2)C1

HCID67158269

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2CC(=O)OCC(=O)c2ccc(F)cc2)c(-c2ccc(F)cc2)s1

HCID67158091

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

PROCEDURE

实验过程

(RS)-3-[2-(4-Fluorophenyl)-2-oxo-ethoxycarbonylmethyl]-piperazine-1-carboxylic acid tert-butyl ester description 110 (0.887 g) was reacted with HATU (0.932 g), diisopropylethylamine (1.30 ml) and 5-(4-fluoro-phenyl)-2-methyl-thiazole-4-carboxylic acid (0.707 g) in dry DMF (8 ml) according to the method of description 20. Silica gel column chromatography, eluting with ethyl acetate-hexane mixtures provided the title compound as a white foam (1.168 g), mass spectrum (API+) 600 [MH+], C30H31F2N3O6S requires 599.

WORKUP

后处理

washSilica gel column chromatography, eluting with ethyl acetate-hexane mixtures

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d78d8839d8cf413899b46a9fb777ce93
来源数据集: uspto-grants-2011_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07943645B2
来源说明: uspto-grants-2011_05

反应 SMILES

[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][NH:11][CH:10]([CH2:14][C:15]([O:17][CH2:18][C:19]([C:21]2[CH:26]=[CH:25][C:24]([F:27])=[CH:23][CH:22]=2)=[O:20])=[O:16])[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.C(N(C(C)C)CC)(C)C.[F:61][C:62]1[CH:67]=[CH:66][C:65]([C:68]2[S:72][C:71]([CH3:73])=[N:70][C:69]=2[C:74](O)=[O:75])=[CH:64][CH:63]=1>CN(C=O)C>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([C:74]([C:69]2[N:70]=[C:71]([CH3:73])[S:72][C:68]=2[C:65]2[CH:66]=[CH:67][C:62]([F:61])=[CH:63][CH:64]=2)=[O:75])[CH:10]([CH2:14][C:15]([O:17][CH2:18][C:19]([C:21]2[CH:22]=[CH:23][C:24]([F:27])=[CH:25][CH:26]=2)=[O:20])=[O:16])[CH2:9]1)=[O:7])([CH3:4])([CH3:2])[CH3:3]