HRID1525397

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID43517298

未命名化合物

结构：O=C(O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21

HCID66575782

未命名化合物

结构：CNC(=O)Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21

HCID66576722

未命名化合物

PRODUCTS

生成物

结构：O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)NCCCNc1ccc([N+](=O)[O-])c2nonc12

HCID66576723

未命名化合物

PROCEDURE

实验过程

Compound 6 was synthesised from 2-(4-chloro-3,5-diphenyl-1H-pyrazolo[3,4-c]pyridazin-1-yl)acetic acid following a similar procedure outlined in Example 16 (Compound 5), using N1-(7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)propane-1,3-diamine instead of methylamine hydrochloride in the final step.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-55ebc340b31a45438c36f4080d59f786
来源数据集: uspto-grants-2015_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09079909B2
来源说明: uspto-grants-2015_07

反应 SMILES

[Cl:1][C:2]1[C:7]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)=[N:6][N:5]=[C:4]2[N:14]([CH2:23][C:24](O)=[O:25])[N:15]=[C:16]([C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=3)[C:3]=12.ClC1C(C2C=CC=CC=2)=NN=C2N(CC(NC)=O)N=C(C3C=CC=CC=3)C=12.[N+:54]([C:57]1[C:62]2=[N:63][O:64][N:65]=[C:61]2[C:60]([NH:66][CH2:67][CH2:68][CH2:69][NH2:70])=[CH:59][CH:58]=1)([O-:56])=[O:55]>>[Cl:1][C:2]1[C:7]([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)=[N:6][N:5]=[C:4]2[N:14]([CH2:23][C:24]([NH:70][CH2:69][CH2:68][CH2:67][NH:66][C:60]3[C:61]4[C:62](=[N:63][O:64][N:65]=4)[C:57]([N+:54]([O-:56])=[O:55])=[CH:58][CH:59]=3)=[O:25])[N:15]=[C:16]([C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=3)[C:3]=12