HRID1034930

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1cc(C)c(S(=O)(=O)n2cnc([N+](=O)[O-])n2)c(C)c1

HCID716901

3-Nitro-1-(2,4,6-trimethylbenzene-1-sulfonyl)-1H-1,2,4-triazole

C11H12N4O4S

HCID4137580

N,N-Diethyl-2-hydroxyacetamide

C6H13NO2

结构：CP(=O)(O)C(C(=O)NC=Cc1ccc(F)c(F)c1)c1csc2ccc(Cl)cc12

HCID66871866

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)C(=O)COP(C)(=O)C(C(=O)NC=Cc1ccc(F)c(F)c1)c1csc2ccc(Cl)cc12

HCID66678309

未命名化合物

收率 44.3%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID1049

Pyridine

C5H5N

PROCEDURE

实验过程

Using the procedure described in Example 47, Compound 17 (0.25 g, 0.57 mmol), N,N-diethyl-2-hydroxyacetamide (0.37 g, 2.86 mmol), and MSNT (0.25 g, 0.86 mmol) in pyridine (5 ml) yielded 0.14 g of Compound 185, as a white powder (−3:1 mixture of diastereomers). HPLC: 4.03 min (24%), 4.11 min (76%); MS (ES) m/z 555 (MH+).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-78bdd79734874c85b5e219b58d4634c0
来源数据集: uspto-grants-2013_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08546358B2
来源说明: uspto-grants-2013_10

反应 SMILES

[Cl:1][C:2]1[CH:28]=[CH:27][C:5]2[S:6][CH:7]=[C:8]([CH:9]([P:23]([CH3:26])(=[O:25])[OH:24])[C:10](=[O:22])[NH:11][CH:12]=[CH:13][C:14]3[CH:19]=[CH:18][C:17]([F:20])=[C:16]([F:21])[CH:15]=3)[C:4]=2[CH:3]=1.[CH2:29]([N:31]([CH2:36][CH3:37])[C:32](=[O:35])[CH2:33]O)[CH3:30].CC1C=C(C)C(S(N2N=C([N+]([O-])=O)N=C2)(=O)=O)=C(C)C=1>N1C=CC=CC=1>[CH2:29]([N:31]([CH2:36][CH3:37])[C:32]([CH2:33][O:25][P:23]([CH:9]([C:8]1[C:4]2[CH:3]=[C:2]([Cl:1])[CH:28]=[CH:27][C:5]=2[S:6][CH:7]=1)[C:10](=[O:22])[NH:11][CH:12]=[CH:13][C:14]1[CH:19]=[CH:18][C:17]([F:20])=[C:16]([F:21])[CH:15]=1)([CH3:26])=[O:24])=[O:35])[CH3:30]