HRID82764

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2779170

(1,4-dimethylpiperazin-2-yl)methanol

C7H16N2O

结构：CC(C)(C)c1cn(C[C@@H]2CCCO2)/c(=N/C(=O)c2cc(C(F)(F)F)ccc2F)s1

HCID178441319

未命名化合物

PRODUCTS

生成物

$结构：CN1CCN(C)C(COc2ccc(C(F)(F)F)cc2C(=O)/N=c2\sc(C(C)(C)C)cn2C[C@@H]2CCCO2)C1$

HCID178480880

未命名化合物

PROCEDURE

实验过程

A mixture of Example 32B (108 mg, 0.25 mmol) and (1,4-dimethylpiperazin-2-yl)methanol (72 mg, 0.5 mmol) were processed using method described in Example 32B to afford the title compound. 1H NMR (500 MHz, pyridine-d5) δ ppm 1.17-1.26 (m, 9 H), 1.50-1.72 (m, 3 H), 1.86 (dd, J=12.5, 6.1 Hz, 1 H), 2.25 (s, 3 H), 2.31-2.55 (m, 7 H), 2.62 (d, J=10.1 Hz, 1 H), 2.74 (d, J=11.3 Hz, 1 H), 3.19 (d, J=10.7 Hz, 1 H), 3.65 (q, J=7.2 Hz, 1 H), 3.82 (q, J=6.9 Hz, 1 H), 4.16-4.38 (m, 3 H), 4.43-4.56 (m, 2 H), 7.20 (s, 1 H), 7.27 (d, J=8.5 Hz, 1 H), 7.71-7.80 (m, 1 H), 8.55 (s, 1 H); MS (DCI/NH3) m/z 555 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-510f9c61fa3149dea7d64679b657f65c
来源数据集: uspto-grants-2014_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08846730B2
来源说明: uspto-grants-2014_09

反应 SMILES

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