HRID585231

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(C(F)(F)F)cc1

HCID69317382

未命名化合物

PRODUCTS

生成物

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

HCID22340079

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from 3-(4-hydroxyphenyl)-2-methyl-2-(4-trifluoromethyl-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 50. 1H NMR (400 MHz, CDCl3) δ 7.49 (d, 2H, J=8.60 Hz), 7.15 (d, 2H, J=8.60 Hz), 6.94 (d, 2H, J=8.60 Hz), 6.78 (d, 2H, J=8.60 Hz), 4.13 (t, 2H, J=6.25 Hz), 3.25 (d, 1H, J=14.08 Hz), 3.15 (d, 1H, J 14.08 Hz), 2.99 (t, 2H, J=6.25 Hz), 2.33 (s, 3H), 2.14-2.06 (m, 2H), 1.61-1.41 (m, 8H), 1.49 (s, 3H), 1.30 (s, 3H); MS (ES+) calcd for C30H35NO5F3: Found m/e 546.3 (M+1, 100%).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-698a9c946a9a4b81a0b6a87fb4b673d5
来源数据集: uspto-grants-2005_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06930120B2
来源说明: uspto-grants-2005_08

反应 SMILES

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