HRID63684

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7757

Methyl acetoacetate

C5H8O3

HCID8868

Ethyl acetoacetate

C6H10O3

HCID1501894

(S)-morpholine-3-carboxylic acid

C5H9NO3

HCID2773319

2-Bromo-4-fluorobenzaldehyde

C7H4BrFO

HCID10887911

2-THIAZOLECARBOXIMIDAMIDE

C4H5N3S

HCID15216102

4,4-Difluoroproline

C5H7F2NO2

HCID83677387

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1=C(CN2CCOC[C@H]2C(=O)O)NC(c2ncoc2C)=N[C@H]1c1ccc(F)cc1Br

HCID73330831

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in analogy to Example 1 with Procedure A shown in Scheme 4 by using 2-bromo-4-fluorobenzaldehyde, 5-methyl-oxazole-4-carboxamidine (Compound AB), ethyl acetoacetate and (S)-morpholine-3-carboxylic acid instead of 2-chloro-4-fluorobenzaldehyde, thiazole-2-carboxamidine, methyl acetoacetate and (S)-4,4-difluoro-pyrrolidine-2-carboxylic acid. The stereochemistry of Example 69 was determined by comparing its 1H NMR data and HPLC retention time with Example 2.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ddeb826efca34604a1af67507d528343
来源数据集: uspto-grants-2016_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09447086B2
来源说明: uspto-grants-2016_09

反应 SMILES

[Br:1][C:2]1[CH:9]=[C:8]([F:10])[CH:7]=[CH:6][C:3]=1[CH:4]=O.[CH3:11][C:12]1[O:16][CH:15]=[N:14][C:13]=1[C:17]([NH2:19])=[NH:18].[C:20]([O:26][CH2:27][CH3:28])(=[O:25])[CH2:21][C:22]([CH3:24])=O.[NH:29]1[CH2:34][CH2:33][O:32][CH2:31][C@H:30]1[C:35]([OH:37])=[O:36].S1C=CN=C1C(N)=N.C(OC)(=O)CC(C)=O.FC1(F)CN[C@H](C(O)=O)C1>>[Br:1][C:2]1[CH:9]=[C:8]([F:10])[CH:7]=[CH:6][C:3]=1[C@@H:4]1[N:19]=[C:17]([C:13]2[N:14]=[CH:15][O:16][C:12]=2[CH3:11])[NH:18][C:22]([CH2:24][N:29]2[CH2:34][CH2:33][O:32][CH2:31][C@H:30]2[C:35]([OH:37])=[O:36])=[C:21]1[C:20]([O:26][CH2:27][CH3:28])=[O:25]