HRID74826

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

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：CN(C(=O)CCCCCN1C(=O)C=CC1=O)C(C)(C)C(=O)O

HCID86685780

未命名化合物

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](N)C(C)C

HCID86685781

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)CCCCCN1C(=O)C=CC1=O)C(C)C

HCID86685783

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

To a stirring solution of #249 (382 mg, 1.23 mM) in 5 mL of dichloromethane, HATU (482 mg, 1.23 mM) was added followed by triethylamine (0.52 mL, 1.23 mM). The reaction was allowed to stir for 1 hour at room temperature followed by the addition of #250 (762 mg, 1.23 mM). The reaction was allowed to stir for 3 hours. Reaction was concentrated in vacuo. Reverse phase purification (MethodL) followed by lyophilization yielded a white solid mc#120 (124 mg, 11%). HPLC (Protocol A at 45° C.;) m/z 911.5 [M+H+], retention time=9.676 minutes.

WORKUP

后处理

stirringto stir for 3 hours
customReaction
concentrationwas concentrated in vacuo
customReverse phase purification (MethodL)
customyielded a white solid mc#120 (124 mg, 11%)
customat 45° C.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d805b92339204ddca040bd99df5d7862
来源数据集: uspto-grants-2014_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08828401B2
来源说明: uspto-grants-2014_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][C:13]([N:15]([CH3:22])[C:16]([CH3:21])([C:18]([OH:20])=O)[CH3:17])=[O:14].CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.C(N(CC)CC)C.[CH3:54][O:55][C@@H:56]([C@@H:73]1[CH2:77][CH2:76][CH2:75][N:74]1[C:78](=[O:97])[CH2:79][C@@H:80]([O:95][CH3:96])[C@@H:81]([N:86]([CH3:94])[C:87](=[O:93])[C@H:88]([CH:90]([CH3:92])[CH3:91])[NH2:89])[C@@H:82]([CH3:85])[CH2:83][CH3:84])[C@@H:57]([CH3:72])[C:58]([NH:60][C@H:61]([C:69]([OH:71])=[O:70])[CH2:62][C:63]1[CH:68]=[CH:67][CH:66]=[CH:65][CH:64]=1)=[O:59]>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][C:13]([N:15]([CH3:22])[C:16]([CH3:17])([C:18]([NH:89][C@H:88]([C:87]([N:86]([C@@H:81]([C@@H:82]([CH3:85])[CH2:83][CH3:84])[C@H:80]([O:95][CH3:96])[CH2:79][C:78]([N:74]1[CH2:75][CH2:76][CH2:77][C@H:73]1[C@H:56]([O:55][CH3:54])[C@@H:57]([CH3:72])[C:58]([NH:60][C@H:61]([C:69]([OH:71])=[O:70])[CH2:62][C:63]1[CH:64]=[CH:65][CH:66]=[CH:67][CH:68]=1)=[O:59])=[O:97])[CH3:94])=[O:93])[CH:90]([CH3:91])[CH3:92])=[O:20])[CH3:21])=[O:14]