HRID573847

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID33558

Azide

N3-

HCID105034

Isocyanate

CNO-

结构：CCC(CC(=O)O)c1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1

HCID90404126

未命名化合物

PRODUCTS

生成物

结构：CCC(CC(=O)N=[N+]=[N-])c1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1.CCC(CN=C=O)c1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1

HCID90418760

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from 3-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)pentanoic acid (CA12) to furnish a mixture of azide and isocyanate, 0.723 g, 72%): 1H NMR (400 MHz, CDCl3) δ 8.56 (two s, 1H), 8.20-8.15 (m, 2H), 7.85-7.74 (m, 2H), 7.39 (dt, J=9.0, 1.0 Hz, 2H), 7.34-7.29 (m, 2H), 3.62-3.38 (m, 2H), 2.77-2.59 (m, 1H), 1.93-1.59 (m, 2H), 0.94-0.83 (m, 3H).

WORKUP

后处理

customto furnish

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6328614999de4da6a9b645720ebfc62a
来源数据集: uspto-grants-2015_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09029560B2
来源说明: uspto-grants-2015_05

反应 SMILES

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