HRID2189395

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：O=C(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(Cc2ccccc2)CC1

HCID23078878

未命名化合物

反应SMILES：Cc1cc(OCCCN[C@@H](CCCCNC(=O)OCc2ccccc2)C(N)=O)ccc1Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)n[nH]c1C(C)C

HCID68941036

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cc(OCCCNCCC(=O)N2CCN(Cc3ccccc3)CC2)ccc1Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)n[nH]c1C(C)C

HCID68944100

未命名化合物

反应SMILES：Cc1cc(OCCCNCCC(=O)N2CCNCC2)ccc1Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)n[nH]c1C(C)C

HCID68945952

未命名化合物

PROCEDURE

实验过程

3-(β-D-Glucopyranosyloxy)-5-isopropyl-4-{[4-(3-{2-[(4-benzylpiperazin-1-yl)carbonyl]ethylamino}propoxy)-2-methylphenyl]methyl}-1H-pyrazole was prepared in a similar manner to that described in Example 51 using 4-benzyl-1-[3-(2-nitrobenzenesulfonylamino)propionyl]piperazine instead of 2-methyl-2-(2-nitrobenzenesulfonylamino)propionamide. Then the title compound was prepared in a similar manner to that described in Example 79 using this material instead of 4-[(4-{3-[(S)-5-benzyloxycarbonylamino-1-(carbamoyl)pentylamino]propoxy}-2-methylphenyl)methyl]-3-(β-D-glucopyranosyloxy)-5-isopropyl-1H-pyrazole.

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-87771aefcc0940378005d5d5a5c52407
来源数据集: uspto-grants-2012_12
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US08324176B2
来源说明: uspto-grants-2012_12

反应SMILES

[CH2:1]([N:8]1[CH2:13][CH2:12][N:11]([C:14](=[O:30])[CH2:15][CH2:16][NH:17]S(C2C=CC=CC=2[N+]([O-])=O)(=O)=O)[CH2:10][CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(OC(NCCCC[C@H](N[CH2:51][CH2:52][CH2:53][O:54][C:55]1[CH:60]=[CH:59][C:58]([CH2:61][C:62]2[C:63]([O:70][C@@H:71]3[O:79][C@H:78]([CH2:80][OH:81])[C@@H:76]([OH:77])[C@H:74]([OH:75])[C@H:72]3[OH:73])=[N:64][NH:65][C:66]=2[CH:67]([CH3:69])[CH3:68])=[C:57]([CH3:82])[CH:56]=1)C(=O)N)=O)C1C=CC=CC=1>>[C@@H:71]1([O:70][C:63]2[C:62]([CH2:61][C:58]3[CH:59]=[CH:60][C:55]([O:54][CH2:53][CH2:52][CH2:51][NH:17][CH2:16][CH2:15][C:14]([N:11]4[CH2:10][CH2:9][N:8]([CH2:1][C:2]5[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=5)[CH2:13][CH2:12]4)=[O:30])=[CH:56][C:57]=3[CH3:82])=[C:66]([CH:67]([CH3:68])[CH3:69])[NH:65][N:64]=2)[O:79][C@H:78]([CH2:80][OH:81])[C@@H:76]([OH:77])[C@H:74]([OH:75])[C@H:72]1[OH:73].[C@@H:71]1([O:70][C:63]2[C:62]([CH2:61][C:58]3[CH:59]=[CH:60][C:55]([O:54][CH2:53][CH2:52][CH2:51][NH:17][CH2:16][CH2:15][C:14]([N:11]4[CH2:10][CH2:9][NH:8][CH2:13][CH2:12]4)=[O:30])=[CH:56][C:57]=3[CH3:82])=[C:66]([CH:67]([CH3:68])[CH3:69])[NH:65][N:64]=2)[O:79][C@H:78]([CH2:80][OH:81])[C@@H:76]([OH:77])[C@H:74]([OH:75])[C@H:72]1[OH:73]