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HRID914078

反应详情

EQUATION

反应方程式

HRID 914078 的结构方程式

REACTANTS

反应物

3
结构：CN1CCC(N)CC1
HCID2737531

4-Amino-1-methylpiperidine

C6H14N2

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

结构：CN1C(=O)C(F)(F)CN(C2CCCC2)c2nc(Nc3ccc(C(=O)O)cc3Cl)ncc21
HCID67117844

未命名化合物

PRODUCTS

生成物

1
结构：CN1CCC(NC(=O)c2ccc(Nc3ncc4c(n3)N(C3CCCC3)CC(F)(F)C(=O)N4C)c(Cl)c2)CC1
HCID25253526

未命名化合物

PROCEDURE

实验过程

The title compound was synthesized from 4-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-chlorobenzoic acid as described in the General procedure for amide bond synthesis using HATU and 1-methylpiperidin-4-amine. The final compound was purified by reverse phase HPLC and basified to give the free base 1H NMR (400 MHz, DMSO-d6) δ ppm 1.44-1.77 (m, 15H) 2.23 (s, 3H) 2.84 (m, 2H) 3.96-4.07 (t, J=12 Hz, 2H) 4.66 (m, 1H) 7.80 (dd, J=8.5, 1.9 Hz, 1H) 8.00 (d, J=1.8 Hz, 1H) 8.08 (d, J=8.6 Hz, 1H) 8.19-8.33 (m, 2H) 8.58 (s, 1H). [M+H] calc'd for C26H32ClF2N7O2, 548. found 548.

WORKUP

后处理

  1. customas described in the General procedure for amide bond synthesis
  2. customThe final compound was purified by reverse phase HPLC
  3. customto give the free base 1H NMR (400 MHz, DMSO-d6) δ ppm 1.44-1.77 (m, 15H) 2.23 (s, 3H) 2.84 (m, 2H) 3.96-4.07 (t, J=12 Hz, 2H) 4.66 (m, 1H) 7.80 (dd, J=8.5, 1.9 Hz, 1H) 8.00 (d, J=1.8 Hz, 1H) 8.08 (d, J=8.6 Hz, 1H) 8.19-8.33 (m, 2H) 8.58 (s, 1H)