HRID1832787

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=C(Cl)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C(F)(F)F

HCID2775746

1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl chloride

C11H5ClF3N3O3

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCCCCCN)CC2)c1

HCID16755868

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCCCCCNC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3C(F)(F)F)CC2)c1

HCID22049026

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID8028

Tetrahydrofuran

C4H8O

PROCEDURE

实验过程

Prepared by Procedure Q1 (THF) and Scheme AT using N-{3-[1-(6-aminohexyl)-4-piperidinyl]phenyl}-2-methylpropanamide and 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride: ESMS m/e: 629.2 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27c527cf34084fbe86a100372b491f23
来源数据集: uspto-grants-2006_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07067534B1
来源说明: uspto-grants-2006_06

反应 SMILES

[NH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][N:8]1[CH2:13][CH2:12][CH:11]([C:14]2[CH:15]=[C:16]([NH:20][C:21](=[O:25])[CH:22]([CH3:24])[CH3:23])[CH:17]=[CH:18][CH:19]=2)[CH2:10][CH2:9]1.[N+:26]([C:29]1[CH:34]=[CH:33][C:32]([N:35]2[C:39]([C:40]([F:43])([F:42])[F:41])=[C:38]([C:44](Cl)=[O:45])[CH:37]=[N:36]2)=[CH:31][CH:30]=1)([O-:28])=[O:27]>C1COCC1>[C:21]([NH:20][C:16]1[CH:15]=[C:14]([CH:11]2[CH2:12][CH2:13][N:8]([CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2][NH:1][C:44]([C:38]3[CH:37]=[N:36][N:35]([C:32]4[CH:33]=[CH:34][C:29]([N+:26]([O-:28])=[O:27])=[CH:30][CH:31]=4)[C:39]=3[C:40]([F:41])([F:42])[F:43])=[O:45])[CH2:9][CH2:10]2)[CH:19]=[CH:18][CH:17]=1)(=[O:25])[CH:22]([CH3:23])[CH3:24]