HRID1367576

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6999971

(2S)-1,1,1-Trifluoropropan-2-ol

C3H5F3O

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：C[C@H](Oc1ccc(S(=O)(=O)[C@@H]2C[C@@H](C(=O)NC3(C#N)CC3)[C@H](C(=O)N3CCC(F)(F)C3)C2)c(Cl)c1)C(F)(F)F

HCID59619236

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in analogy to example 134 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 (S)-1,1,1-trifluoro-propan-2-ol (CAS #: 3539-97-7). White solid (92%). MS (EI): 600.1 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb7f5bee62ec4952968b016dcdf0e19c
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].[F:34][C:35]([F:40])([F:39])[C@@H:36]([OH:38])[CH3:37]>>[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]([O:38][C@@H:36]([CH3:37])[C:35]([F:40])([F:39])[F:34])=[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])[CH2:4][CH2:5]1)#[N:2]