HRID1423180

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCc1nn(C2CCCC2)c2cc(N3CCN[C@@H](Cc4ccccc4)C3)ccc12

HCID23627567

未命名化合物

2 次

HCID135430111

2-(5-Nitro-1H-1,2,4-triazol-3-yl)acetic acid

C4H4N4O4

PRODUCTS

生成物

结构：CCc1nn(C2CCC2)c2cc(N3CCN(C(=O)Cc4n[nH]c([N+](=O)[O-])n4)[C@@H](Cc4ccccc4)C3)ccc12

HCID135988891

未命名化合物

PROCEDURE

实验过程

Prepared by the method outlined for Example 189 using (5-Nitro-1H-[1,2,4]triazol-3-yl)-acetic acid and ester 6-(S)-3-benzyl-piperazin-1-yl)-1-cyclobutyl-3-ethyl-1H-indazole (Example 56, Compound 144) as starting materials. Product as an oil. LC/MS (Method B) 2.56 min, [M+1]+ 529. Potency class ND.

WORKUP

后处理

customPrepared by the method
customLC/MS (Method B) 2.56 min, [M+1]+ 529

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00d76fd4ba784207a4d3956f8cc8bc3a
来源数据集: uspto-grants-2015_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08927546B2
来源说明: uspto-grants-2015_01

反应 SMILES

[N+:1]([C:4]1[NH:8][N:7]=[C:6]([CH2:9][C:10]([OH:12])=O)[N:5]=1)([O-:3])=[O:2].[CH2:13]([C@@H:20]1[NH:25][CH2:24][CH2:23][N:22]([C:26]2[CH:34]=[C:33]3[C:29]([C:30]([CH2:40][CH3:41])=[N:31][N:32]3[CH:35]3[CH2:39][CH2:38][CH2:37]C3)=[CH:28][CH:27]=2)[CH2:21]1)[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1>>[CH2:13]([C@H:20]1[CH2:21][N:22]([C:26]2[CH:34]=[C:33]3[C:29]([C:30]([CH2:40][CH3:41])=[N:31][N:32]3[CH:35]3[CH2:37][CH2:38][CH2:39]3)=[CH:28][CH:27]=2)[CH2:23][CH2:24][N:25]1[C:10](=[O:12])[CH2:9][C:6]1[N:5]=[C:4]([N+:1]([O-:3])=[O:2])[NH:8][N:7]=1)[C:14]1[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=1