HRID505767

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID561337

Benzyl glycolate

C9H10O3

结构：N#Cc1ccc(N2N=C3c4ccc(C(=O)O)cc4CCC3C2C2CCCC2)cc1Cl

HCID24983760

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(N2N=C3c4ccc(C(=O)OCC(=O)OCc5ccccc5)cc4CCC3C2C2CCCC2)cc1Cl

HCID68797933

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from (±)-(3SR,3aRS)-2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole-7-carboxylic acid, Example 15 and benzyl glycolate according to Method E. 1H NMR (400 MHz, CDCl3) δ ppm 1.20-1.68 (m, 7H), 1.72-1.84 (m, 1H), 1.96 (ddd, J=26.18, 12.89, 4.16 Hz, 1H), 2.06-2.20 (m, 1H), 2.25-2.35 (m, 1H), 2.84-2.98 (m, 1H), 3.12 (ddd, J=15.91, 3.36, 3.02 Hz, 1H), 3.49 (ddd, J=113.83, 9.40, 4.70 Hz, 1H), 4.65 (dd, J=9.40, 5.37 Hz, 1H), 4.92 (s, 2H), 5.25 (s, 2H), 7.03 (dd, J=8.73, 2.01 Hz, 1H), 7.31 (d, J=2.15 Hz, 1H), 7.33-7.42 (m, 5H), 7.46 (d, J=8.86 Hz, 1H), 7.93-8.03 (m, 2H), 8.17 (d, J=8.59 Hz, 1H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b75d9b3532d4402afb944114bb966da
来源数据集: uspto-grants-2010_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07781428B2
来源说明: uspto-grants-2010_08

反应 SMILES

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