HRID1832486

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(CC[C@H](N)c3ccccc3)CC2)c1

HCID69523474

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(=O)Nc1cccc(C2CCN(CC[C@H](NC(=O)c3cnn(-c4ccc([N+](=O)[O-])cc4)c3C(F)(F)F)c3ccccc3)CC2)c1

HCID58651320

未命名化合物

PROCEDURE

实验过程

Prepared by Procedure Q1 and Scheme AC using N-(3-{1-[(3S)-3-amino-3-phenylpropyl]-4-piperidinyl}phenyl)-2-methylpropanamide and 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carbonyl chloride: ESMS m/e: 663.2 (M+H)+.

WORKUP

后处理

customPrepared by Procedure Q1 and Scheme AC

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89e2f635d64f4aada1ba55aacbac6206
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][C@H:2]([C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1)[CH2:3][CH2:4][N:5]1[CH2:10][CH2:9][CH:8]([C:11]2[CH:12]=[C:13]([NH:17][C:18](=[O:22])[CH:19]([CH3:21])[CH3:20])[CH:14]=[CH:15][CH:16]=2)[CH2:7][CH2:6]1.[N+:29]([C:32]1[CH:37]=[CH:36][C:35]([N:38]2[C:42]([C:43]([F:46])([F:45])[F:44])=[C:41]([C:47](Cl)=[O:48])[CH:40]=[N:39]2)=[CH:34][CH:33]=1)([O-:31])=[O:30]>>[C:18]([NH:17][C:13]1[CH:12]=[C:11]([CH:8]2[CH2:9][CH2:10][N:5]([CH2:4][CH2:3][C@H:2]([NH:1][C:47]([C:41]3[CH:40]=[N:39][N:38]([C:35]4[CH:36]=[CH:37][C:32]([N+:29]([O-:31])=[O:30])=[CH:33][CH:34]=4)[C:42]=3[C:43]([F:44])([F:45])[F:46])=[O:48])[C:23]3[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=3)[CH2:6][CH2:7]2)[CH:16]=[CH:15][CH:14]=1)(=[O:22])[CH:19]([CH3:21])[CH3:20]