HRID1367578

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3530572

1-tert-butylpiperazine

C8H18N2

结构：N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccc(F)cc3Cl)C[C@H]2C(=O)N2CCC(F)(F)C2)CC1

HCID59619283

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)N1CCN(c2ccc(S(=O)(=O)[C@@H]3C[C@@H](C(=O)NC4(C#N)CC4)[C@H](C(=O)N4CCC(F)(F)C4)C3)c(Cl)c2)CC1

HCID59619386

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in analogy to example 127 using (1R,2R,4R)-4-(2-chloro-4-fluoro-benzenesulfonyl)-2-(3,3-difluoro-pyrrolidine-1-carbonyl)-cyclopentanecarboxylic acid (1-cyano-cyclopropyl)-amide (example 186 step 7) and N-tert-butylpiperazine. Light yellow solid (63%). MS (EI): 624.2 (M−H)−.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-404c4989ff444b62bcffc946b26e379a
来源数据集: uspto-grants-2011_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07893099B2
来源说明: uspto-grants-2011_02

反应 SMILES

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