HRID1161289

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID2737588

[2-Fluoro-3-(trifluoromethyl)phenyl]acetic acid

C9H6F4O2

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：CC(=O)OCCNc1ccc2c(=O)n(CCOC(C)=O)ccc2c1N

HCID59515926

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCCNc1ccc2c(=O)n(CCOC(C)=O)ccc2c1NC(=O)Cc1cccc(C(F)(F)F)c1F

HCID59515734

未命名化合物

CONDITIONS

反应条件

温度: 40 °C

PROCEDURE

实验过程

A reaction vial was charged with acetic acid 2-[6-(2-acetoxy-ethylamino)-5-amino-1-oxo-1H-isoquinolin-2-yl]-ethyl ester (100.00 mg, 0.00028788 mol), 2-(2-fluoro-3-(trifluoromethyl)phenyl)acetic acid (76.74 mg, 0.0003454 mol), N,N,N′,N′-tetramethyl-O-(7-azabenzotriazol-1-yl)uronium hexafluorophosphate (274 mg, 0.000720 mol), N,N-diisopropylethylamine (0.125 mL, 0.000720 mol) and methylene chloride (3 mL, 0.05 mol) and the reaction heated at 40° C. for 5 h. The solvent was removed and the residue purified by flash chromatography to obtain the product as an off white solid. MS m/z=552.3 (M+H).

WORKUP

后处理

customA reaction
customThe solvent was removed
customthe residue purified by flash chromatography
customto obtain the product as an off white solid

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a71485c61de147a38adb639418f8bfb3
来源数据集: uspto-grants-2010_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07816371B2
来源说明: uspto-grants-2010_10

反应 SMILES

[C:1]([O:4][CH2:5][CH2:6][NH:7][C:8]1[C:9]([NH2:25])=[C:10]2[C:15](=[CH:16][CH:17]=1)[C:14](=[O:18])[N:13]([CH2:19][CH2:20][O:21][C:22](=[O:24])[CH3:23])[CH:12]=[CH:11]2)(=[O:3])[CH3:2].[F:26][C:27]1[C:32]([C:33]([F:36])([F:35])[F:34])=[CH:31][CH:30]=[CH:29][C:28]=1[CH2:37][C:38](O)=[O:39].F[P-](F)(F)(F)(F)F.C[N+](C)=C(N(C)C)ON1C2N=CC=CC=2N=N1.C(N(CC)C(C)C)(C)C.C(Cl)Cl>>[C:1]([O:4][CH2:5][CH2:6][NH:7][C:8]1[C:9]([NH:25][C:38](=[O:39])[CH2:37][C:28]2[CH:29]=[CH:30][CH:31]=[C:32]([C:33]([F:34])([F:35])[F:36])[C:27]=2[F:26])=[C:10]2[C:15](=[CH:16][CH:17]=1)[C:14](=[O:18])[N:13]([CH2:19][CH2:20][O:21][C:22](=[O:24])[CH3:23])[CH:12]=[CH:11]2)(=[O:3])[CH3:2]