HRID71214

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1292

Mandelic acid

C8H8O3

HCID8058

n-Hexane

C6H14

结构：COc1nc(-c2nnc3n2CC(C(C)(C)O)C[C@H]3Oc2cc(F)c(F)c(F)c2)ccc1-n1cnc(C)c1

HCID66609167

未命名化合物

PRODUCTS

生成物

结构：COc1nc(-c2nnc3n2CCC[C@]3(Oc2cc(F)c(F)c(F)c2)C(C)(C)OC(=O)[C@@H](O)c2ccccc2)ccc1-n1cnc(C)c1

HCID131731824

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID702

Ethanol

C2H6O

2 次

PROCEDURE

实验过程

To a mixture of 2-{(8R)-3-[6-methoxy-5-(4-methyl-1H-imidazol-1-yl)pyridin-2-yl]-8-(3,4,5-trifluorophenoxy)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-6-yl}propan-2-ol (0.50 g) in ethanol (2 mL) was added a mixture of (+)-mandelic acid (148 mg) in ethanol (1 mL) at room temperature. To the reaction mixture was added hexane/IPE at room temperature, and the mixture was stirred for 3 hr. The crystals were collected by filtration and dried to give the title compound (0.55 g).

WORKUP

后处理

additionwas added
filtrationThe crystals were collected by filtration
customdried

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9dcc44d729ac448c892fb19895abf4ad
来源数据集: uspto-grants-2014_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08822699B2
来源说明: uspto-grants-2014_09

反应 SMILES

[CH3:1][O:2][C:3]1[N:8]=[C:7]([C:9]2[N:13]3[CH2:14][CH:15](C(O)(C)C)[CH2:16][C@@H:17]([O:18][C:19]4[CH:24]=[C:23]([F:25])[C:22]([F:26])=[C:21]([F:27])[CH:20]=4)[C:12]3=[N:11][N:10]=2)[CH:6]=[CH:5][C:4]=1[N:32]1[CH:36]=[C:35]([CH3:37])[N:34]=[CH:33]1.[C:38]([OH:48])(=[O:47])[CH:39]([C:41]1[CH:46]=[CH:45][CH:44]=[CH:43][CH:42]=1)[OH:40].[CH3:49][CH2:50][CH2:51]CCC>C(O)C>[C:38]([O:48][C:50]([C@@:17]1([O:18][C:19]2[CH:20]=[C:21]([F:27])[C:22]([F:26])=[C:23]([F:25])[CH:24]=2)[CH2:16][CH2:15][CH2:14][N:13]2[C:9]([C:7]3[CH:6]=[CH:5][C:4]([N:32]4[CH:36]=[C:35]([CH3:37])[N:34]=[CH:33]4)=[C:3]([O:2][CH3:1])[N:8]=3)=[N:10][N:11]=[C:12]12)([CH3:51])[CH3:49])(=[O:47])[C@H:39]([C:41]1[CH:46]=[CH:45][CH:44]=[CH:43][CH:42]=1)[OH:40]