HRID2357067

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID18373917

Acetonitrile--water (1/1)

C2H5NO

结构：CCCCCCCCOc1ccc(-c2nnc([C@@]3(C)COC(C)(C)N3C(=O)OC(C)(C)C)s2)cc1C(F)(F)F

HCID59384428

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1C(C)(C)OC[C@]1(C)c1nnc(-c2ccc(OCCCCc3ccccc3)c(C(F)(F)F)c2)s1

HCID59384351

未命名化合物

收率 75%

PROCEDURE

实验过程

The title compound was prepared analogously to (R)-tert-butyl 2,2,4-trimethyl-4-(5-(4-(octyloxy)-3-(trifluoromethyl)phenyl)-1,3,4-thiadiazol-2-yl)oxazolidine-3-carboxylate (14a) in 75% yield. MS (ESI): 592.14 (MH+), HPLC retention time on a C8(2) column (30×3.00 mm, 3μ) is 3.55 min with gradient 50-98% acetonitrile-H2O (0.1% TFA) in 3.5 min as mobile phase

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83748f49187641b4b906097e7093b5a4
来源数据集: uspto-grants-2010_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07759370B2
来源说明: uspto-grants-2010_07

反应 SMILES

[CH3:1][C:2]1([CH3:39])[N:6]([C:7]([O:9][C:10]([CH3:13])([CH3:12])[CH3:11])=[O:8])[C@@:5]([CH3:38])([C:14]2[S:15][C:16]([C:19]3[CH:24]=[CH:23][C:22]([O:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33])=[C:21]([C:34]([F:37])([F:36])[F:35])[CH:20]=3)=[N:17][N:18]=2)[CH2:4][O:3]1.[C:40](#N)[CH3:41].O>>[CH3:39][C:2]1([CH3:1])[N:6]([C:7]([O:9][C:10]([CH3:11])([CH3:12])[CH3:13])=[O:8])[C@@:5]([CH3:38])([C:14]2[S:15][C:16]([C:19]3[CH:24]=[CH:23][C:22]([O:25][CH2:26][CH2:27][CH2:28][CH2:29][C:30]4[CH:41]=[CH:40][CH:33]=[CH:32][CH:31]=4)=[C:21]([C:34]([F:37])([F:36])[F:35])[CH:20]=3)=[N:17][N:18]=2)[CH2:4][O:3]1