HRID72531

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(Oc2cccc(C(F)(F)F)c2)C1

HCID67958118

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc([C@H](C)NC(=O)c2cc(Cl)cnc2N2CCC(Oc3cccc(C(F)(F)F)c3)C2)cc1

HCID67958268

未命名化合物

收率 38.3%

PROCEDURE

实验过程

The title compound (D192) (64 mg) was prepared according to the experimental procedure described in Description 146 starting from 5-chloro-2-(3-(3-(trifluoromethyl)phenoxy)pyrrolidin-1-yl)nicotinic acid (D137) (120 mg, 0.305 mmol) and (S)-methyl 4-(1-aminoethyl)benzoate (D3) (65.7 mg, 0.305 mmol)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-576eadfdf53a4ddc983ef4e8032e0c72
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][CH:20]=[C:19]([C:23]([F:26])([F:25])[F:24])[CH:18]=3)[CH2:12]2)=[C:6]([CH:10]=1)[C:7](O)=[O:8].Cl.[NH2:28][C@H:29]([C:31]1[CH:40]=[CH:39][C:34]([C:35]([O:37][CH3:38])=[O:36])=[CH:33][CH:32]=1)[CH3:30]>>[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][CH:20]=[C:19]([C:23]([F:24])([F:26])[F:25])[CH:18]=3)[CH2:12]2)=[C:6]([CH:10]=1)[C:7]([NH:28][C@H:29]([C:31]1[CH:40]=[CH:39][C:34]([C:35]([O:37][CH3:38])=[O:36])=[CH:33][CH:32]=1)[CH3:30])=[O:8]