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HRID1986040

反应详情

EQUATION

反应方程式

HRID 1986040 的结构方程式

REACTANTS

反应物

4
结构：CCN=C=NCCCN(C)C.Cl
HCID2723939

1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride

C8H18ClN3

结构：O.On1nnc2ccccc21
HCID2796029

1H-Benzotriazol-1-ol--water (1/1)

C6H7N3O2

结构：CN1CCc2nc(C(=O)O)sc2C1.Cl
HCID11149031

5-Methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid--hydrogen chloride (1/1)

C8H11ClN2O2S

结构：CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccc(Cl)cn2)[C@H](N)C1
HCID59676986

未命名化合物

PRODUCTS

生成物

1
结构：CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1
HCID10280735

Edoxaban

C24H30ClN7O4S

收率 81.8%

AUXILIARIES

试剂、催化剂与溶剂

3
结构：O
溶剂HCID962

Water

H2O

结构：CCN(CC)CC
溶剂HCID8471

Triethylamine

C6H15N

结构：CC(=O)N(C)C
溶剂HCID31374

Dimethylacetamide

C4H9NO

PROCEDURE

实验过程

N1-{(1S,2R,4S)-2-Amino-4-[(dimethylamino)carbonyl]cyclohexyl}-N2-(5-chloropyridin-2-yl)ethanediamide (553.4 mg) was dissolved in dimethylacetamide (7 mL), and to the solution were added 1-hydroxybenzotriazole monohydrate (245.1 mg), 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylic acid hydrochloride (386.0 mg), and 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride (345.0 mg) at room temperature. The resultant mixture was stirred for 13 hours, and triethylamine and water were added thereto. The precipitated crystals were collected by filtration, and were dried, to thereby give 674.1 mg of the title compound.

WORKUP

后处理

  1. filtrationThe precipitated crystals were collected by filtration
  2. customwere dried