HRID1432535

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

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

HCID22494327

未命名化合物

结构：CC(C)c1nnc(NS(=O)(=O)c2ccc3c(c2)CC(N)C3)s1.Cl

HCID67231283

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(F)(F)F)ccc1C(=O)NC1Cc2ccc(S(=O)(=O)Nc3nnc(C(C)C)s3)cc2C1

HCID16665694

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID8471

Triethylamine

C6H15N

PROCEDURE

实验过程

The mixture of 2-amino-indan-5-sulfonic acid (5-isopropyl-[1,3,4]thiadiazol-2-yl)-amide hydrochloride (40 mg), 1.5 ml of dimethyl formamide, 0.037 ml of triethylamine, 41 mg of HATU and 25 mg of 2-ethoxi-4-trifluoromethyl-benzoic acid was stirred at room temperature over night. The solvents were evaporated in vacuo and the resulting crude material was purified by column chromatography (silica gel, eluent: dichloromethane:methanol=95:5).

WORKUP

后处理

customThe solvents were evaporated in vacuo
customthe resulting crude material was purified by column chromatography (silica gel, eluent: dichloromethane:methanol=95:5)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cfa2d48d16724dedaaf63f4a6216ba24
来源数据集: uspto-grants-2009_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07612104B2
来源说明: uspto-grants-2009_11

反应 SMILES

Cl.[CH:2]([C:5]1[S:9][C:8]([NH:10][S:11]([C:14]2[CH:15]=[C:16]3[C:20](=[CH:21][CH:22]=2)[CH2:19][CH:18]([NH2:23])[CH2:17]3)(=[O:13])=[O:12])=[N:7][N:6]=1)([CH3:4])[CH3:3].CN(C)C=O.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[CH2:53]([O:55][C:56]1[CH:64]=[C:63]([C:65]([F:68])([F:67])[F:66])[CH:62]=[CH:61][C:57]=1[C:58](O)=[O:59])[CH3:54]>C(N(CC)CC)C>[CH2:53]([O:55][C:56]1[CH:64]=[C:63]([C:65]([F:66])([F:67])[F:68])[CH:62]=[CH:61][C:57]=1[C:58]([NH:23][CH:18]1[CH2:17][C:16]2[C:20](=[CH:21][CH:22]=[C:14]([S:11](=[O:13])(=[O:12])[NH:10][C:8]3[S:9][C:5]([CH:2]([CH3:4])[CH3:3])=[N:6][N:7]=3)[CH:15]=2)[CH2:19]1)=[O:59])[CH3:54]