HRID713945

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1cc(CN2CCC(C(=O)O)C2)nc2ccc(O[C@H]3CC[C@H](C(C)(C)C)CC3)cc12

HCID178426232

未命名化合物

结构：CC(C)(C)[C@H]1CC[C@H](Oc2ccc3nc(CN4CC(C(=O)O)C4)cc(C4CC4)c3c2)CC1

HCID178445802

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[C@H]1CC[C@H](Oc2ccc3nc(CN4CCC(C(=O)O)C4)cc(C4CC4)c3c2)CC1

HCID178445798

未命名化合物

PROCEDURE

实验过程

Synthesized as per 1-[6-(trans-4-tert-Butyl-cyclohexyloxy)-4-cyclopropyl-quinolin-2-ylmethyl]-azetidine-3-carboxylic acid using the appropriate intermediate available from the synthesis of 1-[6-(trans-4-tert-Butyl-cyclohexyloxy)-4-methyl-quinolin-2-ylmethyl]-pyrrolidine-3-carboxylic acid). ESI-MS(M+H+): 451.3; 1H NMR (400 MHz, METHANOL-d4) Shift 7.99 (d, J=9.29 Hz, 1H), 7.70 (d, J=2.51 Hz, 1H), 7.42 (dd, J=2.64, 9.16 Hz, 1H), 7.13 (s, 1H), 4.60-4.72 (m, 2H), 4.35-4.49 (m, 1H), 3.81 (dd, J=6.53, 12.05 Hz, 1H), 3.72 (dd, J=8.66, 11.92 Hz, 1H), 3.50-3.66 (m, 2H), 3.37-3.49 (m, 1H), 2.42-2.55 (m, 2H), 2.38 (td, J=6.96, 13.68 Hz, 1H), 2.29 (d, J=10.29 Hz, 2H), 1.85-1.98 (m, 2H), 1.36-1.52 (m, 2H), 1.18-1.34 (m, 4H), 1.03-1.18 (m, 1H), 0.91 (s, 9H), 0.79-0.89 (m, 2H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ec131e0d0b24dadafec263672e81e90
来源数据集: uspto-grants-2015_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09186367B2
来源说明: uspto-grants-2015_11

反应 SMILES

[C:1]([C@H:5]1[CH2:10][CH2:9][C@H:8]([O:11][C:12]2[CH:13]=[C:14]3[C:19](=[CH:20][CH:21]=2)[N:18]=[C:17]([CH2:22][N:23]2[CH2:26][CH:25]([C:27]([OH:29])=[O:28])[CH2:24]2)[CH:16]=[C:15]3[CH:30]2[CH2:32][CH2:31]2)[CH2:7][CH2:6]1)([CH3:4])([CH3:3])[CH3:2].[C:33]([C@H]1CC[C@H](OC2C=C3C(=CC=2)N=C(CN2CCC(C(O)=O)C2)C=C3C)CC1)(C)(C)C>>[C:1]([C@H:5]1[CH2:6][CH2:7][C@H:8]([O:11][C:12]2[CH:13]=[C:14]3[C:19](=[CH:20][CH:21]=2)[N:18]=[C:17]([CH2:22][N:23]2[CH2:33][CH2:26][CH:25]([C:27]([OH:29])=[O:28])[CH2:24]2)[CH:16]=[C:15]3[CH:30]2[CH2:32][CH2:31]2)[CH2:9][CH2:10]1)([CH3:4])([CH3:3])[CH3:2]