HRID874836

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID24726991

4-[(1,3-Dioxolan-2-yl)methyl]benzoic acid

C11H12O4

结构：O=C(N[C@@H](c1ccccc1)c1cccc(OCc2ccc(C(=O)O)cc2)c1)O[C@H]1CN2CCC1CC2

HCID86720815

未命名化合物

结构：O=C(N[C@@H](c1ccccc1)c1cccc(OCC2CCNCC2)c1)O[C@H]1CN2CCC1CC2

HCID90210005

未命名化合物

PRODUCTS

生成物

结构：O=C(N[C@@H](c1ccccc1)c1cccc(OCC2CCN(C(=O)c3ccc(CC4OCCO4)cc3)CC2)c1)O[C@H]1CN2CCC1CC2

HCID90212336

未命名化合物

PROCEDURE

实验过程

The title compound was prepared as described in Example 1 Step 11 with (R)-quinuclidin-3-yl((S)-phenyl(3-(piperidin-4-ylmethoxy)phenyl)methyl)carbamate and 4-(1,3-dioxolan-2-ylmethyl)benzoic acid replacing 3-(1,3-dioxolan-2-yl)propyl piperidine-4-carboxylate hydrochloride and 4-((3-((S)-phenyl((((R)-quinuclidin-3-yloxy)carbonyl)amino)methyl)phenoxy)methyl)benzoic acid respectively.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3a0677c639fa456d957962ba13a3878b
来源数据集: uspto-grants-2015_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08980913B2
来源说明: uspto-grants-2015_03

反应 SMILES

[N:1]12[CH2:8][CH2:7][CH:4]([CH2:5][CH2:6]1)[C@@H:3]([O:9][C:10](=[O:33])[NH:11][C@@H:12]([C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1)[C:13]1[CH:18]=[CH:17][CH:16]=[C:15]([O:19][CH2:20][CH:21]3[CH2:26][CH2:25][NH:24][CH2:23][CH2:22]3)[CH:14]=1)[CH2:2]2.[O:34]1[CH2:38][CH2:37][O:36][CH:35]1[CH2:39][C:40]1[CH:48]=[CH:47][C:43]([C:44](O)=[O:45])=[CH:42][CH:41]=1.C1([C@H](NC(O[C@@H]2C3CCN(CC3)C2)=O)C2C=C(C=CC=2)OCC2C=CC(C(O)=O)=CC=2)C=CC=CC=1>>[N:1]12[CH2:6][CH2:5][CH:4]([CH2:7][CH2:8]1)[C@@H:3]([O:9][C:10](=[O:33])[NH:11][C@H:12]([C:13]1[CH:18]=[CH:17][CH:16]=[C:15]([O:19][CH2:20][CH:21]3[CH2:22][CH2:23][N:24]([C:44](=[O:45])[C:43]4[CH:42]=[CH:41][C:40]([CH2:39][CH:35]5[O:36][CH2:37][CH2:38][O:34]5)=[CH:48][CH:47]=4)[CH2:25][CH2:26]3)[CH:14]=1)[C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1)[CH2:2]2