HRID1393434

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1ccc(S(=O)(=O)OCCc2nc(C3(C)CCCCC3)oc2C)cc1

HCID20823126

未命名化合物

结构：CCOC(=O)C(C)(Cc1ccc(O)cc1)Oc1ccc(OC(F)(F)F)cc1

HCID69320543

未命名化合物

PRODUCTS

生成物

结构：Cc1oc(C2(C)CCCCC2)nc1CCOc1ccc(CC(C)(Oc2ccc(OC(F)(F)F)cc2)C(=O)O)cc1

HCID22340070

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from 3-(4-hydroxy-phenyl)-2-methyl-2-(4-trifluoromethoxy-phenoxy)-propionic acid ethyl ester and toluene-4-sulfonic acid 2-(5-methyl-2-(1-methylcyclohexyl)oxazol-4-yl)-ethyl ester using the procedure of Example 42. 1H NMR (400 MHz, CDCl3) δ 7.16 (d, 2H, J=8.60 Hz), 7.08 (d, 2H, J=8.60 Hz), 6.89 (d, 2H, J=8.60 Hz), 6.79 (d, 2H, J=8.60 Hz), 4.13 (t, 2H, J=6.25 Hz), 3.23 (d, 1H, J=14.08 Hz), 3.11 (d, 1H, J=14.08 Hz), 2.99 (t, 2H, J=6.25 Hz), 2.33 (s, 3H), 2.16-2.08 (m, 2H), 1.62-1.32 (m, 8H), 1.42 (s, 3H), 1.32 (s, 3H); MS (ES+) calcd for C30H35NO6F3: Found m/e 562.3 (M+1, 100%)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e333a827784d4406ab589355f00f6851
来源数据集: uspto-grants-2008_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07345070B2
来源说明: uspto-grants-2008_03

反应 SMILES

C([O:3][C:4](=[O:27])[C:5]([CH3:26])([O:14][C:15]1[CH:20]=[CH:19][C:18]([O:21][C:22]([F:25])([F:24])[F:23])=[CH:17][CH:16]=1)[CH2:6][C:7]1[CH:12]=[CH:11][C:10]([OH:13])=[CH:9][CH:8]=1)C.[CH3:28][C:29]1[O:33][C:32]([C:34]2([CH3:40])[CH2:39][CH2:38][CH2:37][CH2:36][CH2:35]2)=[N:31][C:30]=1[CH2:41][CH2:42]OS(C1C=CC(C)=CC=1)(=O)=O>>[CH3:26][C:5]([O:14][C:15]1[CH:20]=[CH:19][C:18]([O:21][C:22]([F:23])([F:24])[F:25])=[CH:17][CH:16]=1)([CH2:6][C:7]1[CH:8]=[CH:9][C:10]([O:13][CH2:42][CH2:41][C:30]2[N:31]=[C:32]([C:34]3([CH3:40])[CH2:39][CH2:38][CH2:37][CH2:36][CH2:35]3)[O:33][C:29]=2[CH3:28])=[CH:11][CH:12]=1)[C:4]([OH:3])=[O:27]