HRID1423235

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7019477

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

C5H7N3O2

结构：CC(C)c1nn(C2CCC2)c2cc(N3CCN[C@@H](Cc4ccccc4)C3)ccc12

HCID58189132

未命名化合物

PRODUCTS

生成物

结构：Cc1nnc(CC(=O)N2CCN(c3ccc4c(C(C)C)nn(C5CCC5)c4c3)C[C@@H]2Cc2ccccc2)[nH]1

HCID178434049

未命名化合物

收率 25%

PROCEDURE

实验过程

Prepared using the same procedure described in Example 189 from 6-((S)-3-benzyl-piperazin-1-yl)-1-cyclobutyl-3-isopropyl-1H-indazole and (5-methyl-1H-[1,2,4]triazol-3-yl)-acetic acid to afford the title compound as colorless solid (35 mg, 25%). LC/MS (Method B) 3.62 min, [M+1]+ 512.

WORKUP

后处理

customPrepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56bff5f9cfcd48d1a00a66b5ae233204
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

[CH2:1]([C@@H:8]1[NH:13][CH2:12][CH2:11][N:10]([C:14]2[CH:22]=[C:21]3[C:17]([C:18]([CH:27]([CH3:29])[CH3:28])=[N:19][N:20]3[CH:23]3[CH2:26][CH2:25][CH2:24]3)=[CH:16][CH:15]=2)[CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:30][C:31]1[NH:35][N:34]=[C:33]([CH2:36][C:37](O)=[O:38])[N:32]=1>>[CH2:1]([C@H:8]1[CH2:9][N:10]([C:14]2[CH:22]=[C:21]3[C:17]([C:18]([CH:27]([CH3:29])[CH3:28])=[N:19][N:20]3[CH:23]3[CH2:24][CH2:25][CH2:26]3)=[CH:16][CH:15]=2)[CH2:11][CH2:12][N:13]1[C:37](=[O:38])[CH2:36][C:33]1[NH:32][C:31]([CH3:30])=[N:35][N:34]=1)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1