HRID222965

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1001

Phenethylamine

C8H11N

HCID12417863

1-(1H-Imidazol-2-yl)methanamine--hydrogen chloride (1/2)

C4H9Cl2N3

结构：CSc1nc(-c2cc(C(=O)O)ccc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1

HCID57530530

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(C(=O)NCCc2ccccc2)cc1-c1nc(NCc2ncc[nH]2)nc2c1ccc(=O)n2-c1c(F)cccc1F

HCID11947978

未命名化合物

PROCEDURE

实验过程

The title compound is prepared from 3-[8-(2,6-difluorophenyl)-2-(methylthio)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzoic acid by following the procedures in Example 19 using 2-phenylethanamine for the amide formation and (1H-imidazol-2-ylmethyl)amine dihydrochloride for the displacement reaction: LC-MS m/z 592 (M+H)+, 1.77 min (ret time).

WORKUP

后处理

customfor the displacement reaction
customLC-MS m/z 592 (M+H)+, 1.77 min (ret time)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68a207587ca54727a96cea15ef6bb11b
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](SC)[N:17]=[C:18]([C:19]3[CH:20]=[C:21]([CH:25]=[CH:26][C:27]=3[CH3:28])[C:22]([OH:24])=O)[C:13]=2[CH:12]=[CH:11][C:10]1=[O:31].[C:32]1([CH2:38][CH2:39][NH2:40])[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=1.Cl.Cl.[NH:43]1[CH:47]=[CH:46][N:45]=[C:44]1[CH2:48][NH2:49]>>[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]([NH:49][CH2:48][C:44]3[NH:43][CH:47]=[CH:46][N:45]=3)[N:17]=[C:18]([C:19]3[CH:20]=[C:21]([CH:25]=[CH:26][C:27]=3[CH3:28])[C:22]([NH:40][CH2:39][CH2:38][C:32]3[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=3)=[O:24])[C:13]=2[CH:12]=[CH:11][C:10]1=[O:31]