HRID1095890

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：CN(C)C(On1nnc2ccccc21)=[N+](C)C.F[P-](F)(F)(F)(F)F

HCID2733084

Methanaminium, N-[(1H-benzotriazol-1-yloxy)(dimethylamino)methylene]-N-methyl-, hexafluorophosphate(1-) (1:1)

C11H16F6N5OP

HCID11535728

Ethyl [4-(aminomethyl)phenyl]acetate

C11H15NO2

反应SMILES：CC(c1ccc(C(=O)O)cc1Cl)C(O)(c1ccnc(Cl)c1)C(F)(F)F

HCID57421268

未命名化合物

PRODUCTS

产物

反应SMILES：CCOC(=O)Cc1ccc(CNC(=O)c2ccc(C(C)C(O)(c3ccnc(Cl)c3)C(F)(F)F)c(Cl)c2)cc1

HCID46941260

未命名化合物

PROCEDURE

实验过程

In analogy to Example 26, step 4, 3-chloro-4-[2-(2-chloro-pyridin-4-yl)-3,3,3-trifluoro-2-hydroxy-1-methyl-propyl]-benzoic acid, Example 26, step 3, was reacted with 4-(aminomethyl)phenylacetic acid ethylester (CAS 17841-69-9) and HBTU at 80° C. 4 h to give the title compound as a white foam. MS (m/e)=569.0 [M+H+].

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a1d483ff33c0484dbede916eeeb2eb84
来源数据集: uspto-grants-2012_03
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US08138189B2
来源说明: uspto-grants-2012_03

反应SMILES

[Cl:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[CH:11]([CH3:25])[C:12]([C:18]1[CH:23]=[CH:22][N:21]=[C:20]([Cl:24])[CH:19]=1)([OH:17])[C:13]([F:16])([F:15])[F:14])[C:5](O)=[O:6].[CH2:26]([O:28][C:29](=[O:39])[CH2:30][C:31]1[CH:36]=[CH:35][C:34]([CH2:37][NH2:38])=[CH:33][CH:32]=1)[CH3:27].CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>>[CH2:26]([O:28][C:29](=[O:39])[CH2:30][C:31]1[CH:36]=[CH:35][C:34]([CH2:37][NH:38][C:5](=[O:6])[C:4]2[CH:8]=[CH:9][C:10]([CH:11]([CH3:25])[C:12]([C:18]3[CH:23]=[CH:22][N:21]=[C:20]([Cl:24])[CH:19]=3)([OH:17])[C:13]([F:16])([F:14])[F:15])=[C:2]([Cl:1])[CH:3]=2)=[CH:33][CH:32]=1)[CH3:27]