HRID72530

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID57462942

Methyl 4-[(1S)-1-aminoethyl]benzoate--hydrogen chloride (1/1)

C10H14ClNO2

结构：O=C([O-])c1cc(Cl)cnc1N1CCC(Oc2ccc(C(F)(F)F)cc2)C1.[Li+]

HCID67958430

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc([C@H](C)NC(=O)c2cc(Cl)cnc2N2CCC(Oc3ccc(C(F)(F)F)cc3)C2)cc1

HCID67958125

未命名化合物

收率 27.6%

PROCEDURE

实验过程

The title compound (D191) (50 mg) was prepared according to the experimental procedure described in Description 148 starting from lithium 5-chloro-2-(3-(4-(trifluoromethyl)phenoxy)pyrrolidin-1-yl)nicotinate (D136) (130 mg, 0.331 mmol) and (S)-methyl 4-(1-aminoethyl)benzoate (D3) (71.19 mg, 0.331 mmol)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3115c83b775043049fc8645d828efdce
来源数据集: uspto-grants-2014_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08828987B2
来源说明: uspto-grants-2014_09

反应 SMILES

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