HRID2282924

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

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

HCID10513373

7-(2,5-dioxopyrrol-1-yl)heptanoic acid

C11H15NO4

结构：CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)OC)N(C)C(=O)[C@@H](NC(=O)C(C)(C)NC)C(C)C.O=C(O)C(F)(F)F

HCID86685778

未命名化合物

PRODUCTS

生成物

结构：CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)OC)N(C)C(=O)[C@@H](NC(=O)C(C)(C)N(C)C(=O)CCCCCCN1C(=O)C=CC1=O)C(C)C

HCID86685785

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

2 次

溶剂HCID6344

Dichloromethane

CH2Cl2

2 次

PROCEDURE

实验过程

A stirring solution 7-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)heptanoic acid (1.2 equivalents), HATU (1.2 equivalents), and Hunig's base (3 equivalents) in DMF and dichloromethane is allowed to stir for 30 minutes. Compound #115 (1 equivalent) is then added as a solution in dichloromethane and DMF. Reaction is monitored by LC-MS. Reaction is concentrated down and purification is completed by Isco medium pressure reverse phase chromatography (Gradient: 5%-100% water in acetonitrile).

WORKUP

后处理

customReaction
customReaction
concentrationis concentrated down and
custompurification

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-000deacbb7d7490b865c59ea1fecb363
来源数据集: uspto-grants-2015_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09138486B2
来源说明: uspto-grants-2015_09

反应 SMILES

[O:1]=[C:2]1[CH:6]=[CH:5][C:4](=[O:7])[N:3]1[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][C:14]([OH:16])=O.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C.FC(F)(F)C(O)=O.[CH3:57][NH:58][C:59]([CH3:107])([C:61]([NH:63][C@H:64]([C:68]([N:70]([C@@H:72]([C@@H:103]([CH3:106])[CH2:104][CH3:105])[C@H:73]([O:101][CH3:102])[CH2:74][C:75]([N:77]1[CH2:81][CH2:80][CH2:79][C@H:78]1[C@H:82]([O:99][CH3:100])[C@@H:83]([CH3:98])[C:84]([NH:86][C@H:87]([C:95]([OH:97])=[O:96])[CH2:88][C:89]1[CH:94]=[CH:93][CH:92]=[CH:91][CH:90]=1)=[O:85])=[O:76])[CH3:71])=[O:69])[CH:65]([CH3:67])[CH3:66])=[O:62])[CH3:60]>CN(C=O)C.ClCCl>[O:7]=[C:4]1[CH:5]=[CH:6][C:2](=[O:1])[N:3]1[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][C:14]([N:58]([CH3:57])[C:59]([CH3:107])([C:61]([NH:63][C@H:64]([C:68]([N:70]([C@@H:72]([C@@H:103]([CH3:106])[CH2:104][CH3:105])[C@H:73]([O:101][CH3:102])[CH2:74][C:75]([N:77]1[CH2:81][CH2:80][CH2:79][C@H:78]1[C@H:82]([O:99][CH3:100])[C@@H:83]([CH3:98])[C:84]([NH:86][C@H:87]([C:95]([OH:97])=[O:96])[CH2:88][C:89]1[CH:94]=[CH:93][CH:92]=[CH:91][CH:90]=1)=[O:85])=[O:76])[CH3:71])=[O:69])[CH:65]([CH3:66])[CH3:67])=[O:62])[CH3:60])=[O:16]