HRID565456

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID971

Oxalic acid

C2H2O4

HCID10943254

未命名化合物

HCID17904714

未命名化合物

PRODUCTS

生成物

结构：O=C(O)C(=O)O.O[C@H](COc1cccc2[nH]ccc12)CN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

HCID131719668

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID8857

Ethyl acetate

C4H8O2

2 次

PROCEDURE

实验过程

The title compound was prepared in similar fashion from (S)-(+)-4-(oxiranylmethoxy)-1H-indole and 4-(bis(4-fluorophenyl)methylenepiperidine. The resulting free base was dissolved in ethyl acetate, and precipitated with one equivalent of oxalic acid in ethyl acetate in 88% overall yield. FDMS m/e=474 (M+ of free base). α[D]589=−8.49 (c=0.71, methanol).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eec0e788cbfd455e8eb707b51b19791f
来源数据集: uspto-grants-2001_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06172073B2
来源说明: uspto-grants-2001_01

反应 SMILES

[O:1]1[CH2:3][C@H:2]1[CH2:4][O:5][C:6]1[CH:14]=[CH:13][CH:12]=[C:11]2[C:7]=1[CH:8]=[CH:9][NH:10]2.[F:15][C:16]1[CH:21]=[CH:20][C:19]([C:22](=C2CCCCN2)[C:23]2[CH:28]=[CH:27][C:26]([F:29])=[CH:25][CH:24]=2)=[CH:18][CH:17]=1.[C:36]([OH:41])(=[O:40])[C:37]([OH:39])=[O:38].CO>C(OCC)(=O)C>[C:36]([OH:41])(=[O:40])[C:37]([OH:39])=[O:38].[NH:10]1[C:11]2[C:7](=[C:6]([O:5][CH2:4][C@@H:2]([OH:1])[CH2:3][N:10]3[CH2:37][CH2:36][C:7](=[C:22]([C:19]4[CH:20]=[CH:21][C:16]([F:15])=[CH:17][CH:18]=4)[C:23]4[CH:24]=[CH:25][C:26]([F:29])=[CH:27][CH:28]=4)[CH2:8][CH2:9]3)[CH:14]=[CH:13][CH:12]=2)[CH:8]=[CH:9]1