HRID505768

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID90466

9H-Fluorene-9-methanol

C14H12O

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)OCC5c6ccccc6-c6ccccc65)cc4CCC3C2C2CCCC2)cc1Cl

HCID68798319

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 9-fluorenylmethanol according to Method E. 1H NMR (400 MHz, CDCl3) δ ppm 1.19-1.67 (m, 7H), 1.72-1.85 (m, 1H), 1.99 (ddd, J=26.11, 12.96, 4.16 Hz, 1H), 2.07-2.22 (m, 1H), 2.25-2.38 (m, 1H), 2.85-3.03 (m, 1H), 3.06-3.21 (m, 1H), 3.50 (ddd, J=13.83, 9.26, 4.83 Hz, 1H), 4.41 (t, J=7.12 Hz, 1H), 4.60-4.70 (m, 3H), 7.03 (dd, J=8.73, 2.01 Hz, 1H), 7.29-7.38 (m, 3H), 7.40-7.51 (m, 3H), 7.66 (d, J=7.52 Hz, 2H), 7.82 (d, J=7.52 Hz, 2H), 7.91-8.00 (m, 2H), 8.20 (d, J=8.06 Hz, 1H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08edab92a21b4fbb9bfc1086f7ae7c1d
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].[CH:31]1[C:43]2[CH:42]([CH2:44]O)[C:41]3[C:36](=[CH:37][CH:38]=[CH:39][CH:40]=3)[C:35]=2[CH:34]=[CH:33][CH:32]=1>>[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][CH2:44][CH:42]5[C:43]6[CH:31]=[CH:32][CH:33]=[CH:34][C:35]=6[C:36]6[C:41]5=[CH:40][CH:39]=[CH:38][CH:37]=6)=[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]