HRID222998

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID40274

N-(1,1-Dimethylethyl)-1,3-propanediamine

C7H18N2

结构：Cc1ccc(C(=O)Nc2nccs2)cc1-c1nc(S(C)=O)nc2c1ccc(=O)n2-c1c(F)cccc1F

HCID57434549

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)Nc2nccs2)cc1-c1nc(NCCCNC(C)(C)C)nc2c1ccc(=O)n2-c1c(F)cccc1F

HCID59212729

未命名化合物

PROCEDURE

实验过程

The title compound was prepared from 3-[8-(2,6-difluorophenyl)-2-(methylsulfinyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl]-4-methyl-N-1,3-thiazol-2-ylbenzamide and N-(1,1-dimethylethyl)-1,3-propanediamine by following the procedures in Example 79c. LC-MS m/z 604 (M+H)+; 1H-NMR (MeOD) 1.09 (m, 9H), 1.70 (m, 2H), 2.33 (m, 3H), 2.47 (m, 1H), 2.66 (m, 1H), 3.13 (m, 1H), 3.47 (m, 1H), 6.36 (d, J=8.8 Hz, 1H), 7.10 (m, 1H), 7.23 (m, 2H), 7.47 (m, 2H), 7.58 (m, 2H), 8.04 (m, 1H), 8.13 (d, J=7.6 Hz, 1H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89cf56498c144ad8a22cab7710cab2ba
来源数据集: uspto-grants-2012_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08207176B2
来源说明: uspto-grants-2012_06

反应 SMILES

[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([F:8])[C:3]=1[N:9]1[C:14]2[N:15]=[C:16](S(C)=O)[N:17]=[C:18]([C:19]3[CH:20]=[C:21]([CH:30]=[CH:31][C:32]=3[CH3:33])[C:22]([NH:24][C:25]3[S:26][CH:27]=[CH:28][N:29]=3)=[O:23])[C:13]=2[CH:12]=[CH:11][C:10]1=[O:37].[CH3:38][C:39]([NH:42][CH2:43][CH2:44][CH2:45][NH2:46])([CH3:41])[CH3:40]>>[F:8][C:4]1[CH:5]=[CH:6][CH:7]=[C:2]([F:1])[C:3]=1[N:9]1[C:14]2[N:15]=[C:16]([NH:46][CH2:45][CH2:44][CH2:43][NH:42][C:39]([CH3:41])([CH3:40])[CH3:38])[N:17]=[C:18]([C:19]3[CH:20]=[C:21]([CH:30]=[CH:31][C:32]=3[CH3:33])[C:22]([NH:24][C:25]3[S:26][CH:27]=[CH:28][N:29]=3)=[O:23])[C:13]=2[CH:12]=[CH:11][C:10]1=[O:37]