HRID2042842

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

结构：CN(C)C(On1nnc2ccccc21)=[N+](C)C.F[B-](F)(F)F

HCID2733207

O-(Benzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium tetrafluoroborate

C11H16BF4N5O

HCID2782828

2-Fluoroisobutyric acid

C4H7FO2

结构：NCc1ccc(Cl)c(Nc2nc3cc(C(=O)N[C@H]4CC[C@H](C(F)(F)F)CC4)c(OCC(F)F)nc3[nH]2)c1Cl

HCID178509821

未命名化合物

PRODUCTS

生成物

结构：CC(C)(F)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(C(=O)N[C@H]4CC[C@H](C(F)(F)F)CC4)c(OCC(F)F)nc3[nH]2)c1Cl

HCID178455689

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

3 次

PROCEDURE

实验过程

TBTU (1.0 ml of a 0.11 M solution in DMF) is added to a mixture of 2,4-dichloro-3-[6-(trans-4-trifluoromethyl-cyclohexylcarbamoyl)-5-(2,2-difluoro-ethoxy)-3H-imidazo[4,5-b]pyridin-2-ylamino]benzylamine (1.0 ml of a 0.10 M solution in DMF), DIPEA (52 μl, 0.3 mmol) and 2-fluoro-2-methylpropionic acid (1.0 ml of a 0.13 M solution in DMF) and it is stirred for 3 d and the mixture is purified by prep. HPLC.

WORKUP

后处理

customthe mixture is purified by prep

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e80a356f7f814fa1a3967412e01586d5
来源数据集: uspto-grants-2013_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08586604B2
来源说明: uspto-grants-2013_11

反应 SMILES

CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F.[Cl:23][C:24]1[C:31]([NH:32][C:33]2[NH:59][C:36]3=[N:37][C:38]([O:54][CH2:55][CH:56]([F:58])[F:57])=[C:39]([C:41](=[O:53])[NH:42][C@H:43]4[CH2:48][CH2:47][C@H:46]([C:49]([F:52])([F:51])[F:50])[CH2:45][CH2:44]4)[CH:40]=[C:35]3[N:34]=2)=[C:30]([Cl:60])[CH:29]=[CH:28][C:25]=1[CH2:26][NH2:27].CCN(C(C)C)C(C)C.[F:70][C:71]([CH3:76])([CH3:75])[C:72](O)=[O:73]>CN(C=O)C>[Cl:23][C:24]1[C:31]([NH:32][C:33]2[NH:59][C:36]3=[N:37][C:38]([O:54][CH2:55][CH:56]([F:57])[F:58])=[C:39]([C:41](=[O:53])[NH:42][C@H:43]4[CH2:48][CH2:47][C@H:46]([C:49]([F:52])([F:50])[F:51])[CH2:45][CH2:44]4)[CH:40]=[C:35]3[N:34]=2)=[C:30]([Cl:60])[CH:29]=[CH:28][C:25]=1[CH2:26][NH:27][C:72](=[O:73])[C:71]([CH3:76])([F:70])[CH3:75]