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HRID1887685

反应详情

EQUATION

反应方程式

HRID 1887685 的结构方程式

REACTANTS

反应物

4
反应SMILES：O=C([O-])[O-].[Cs+].[Cs+]
HCID10796

Cesium carbonate

CCs2O3

反应SMILES：CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21
HCID636044

1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)

C39H32OP2

反应SMILES：FC(F)(F)c1cnc(Cl)cc1I
HCID2773791

2-Chloro-4-iodo-5-(trifluoromethyl)pyridine

C6H2ClF3IN

反应SMILES：CN(c1ncccc1CN)S(C)(=O)=O
HCID45480403

N-[3-(Aminomethyl)pyridin-2-yl]-N-methylmethanesulfonamide

C8H13N3O2S

PRODUCTS

产物

2
反应SMILES：O=C(O)C(F)(F)F
HCID6422

未命名化合物

收率 0.1%
反应SMILES：CN(c1ncccc1CNc1cc(Cl)ncc1C(F)(F)F)S(C)(=O)=O
HCID58155054

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

2
反应SMILES：O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Pd].[Pd]
催化剂HCID9811564

Bis(dibenzylideneacetone)palladium

C51H42O3Pd2

反应SMILES：C1COCCO1
溶剂HCID31275

1,4-Dioxane

C4H8O2

CONDITIONS

反应条件

温度
80 °C

PROCEDURE

实验过程

The mixture of 2-chloro-4-iodo-5-(trifluoromethyl)pyridine (1 eq.), N-(3-(aminomethyl)pyridin-2-yl)-N-methylmethanesulfonamide (1 eq.), Pd2(dba)3, xantphos and cesium carbonate in dioxane were heated at 80° C. for 12 h. The solvent was removed and the residue was purified by prep. HPLC (0.1% TFA in water/acetonitrile gradient) to yield the title compound.

WORKUP

后处理

  1. customThe solvent was removed
  2. customthe residue was purified by prep