HRID13783

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCN1CCN(Cc2ccc(C(=O)Cl)cc2C(F)(F)F)CC1.Cl.Cl

HCID23145850

未命名化合物

HCID23145966

未命名化合物

PRODUCTS

生成物

结构：CCN1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Nc4nccc(-c5cncc(Br)c5)n4)c3)cc2C(F)(F)F)CC1

HCID11445186

未命名化合物

PROCEDURE

实验过程

This compound was prepared in the same manner as in Example 1, except that 3-[4-(5-bromopyridin-3-yl)pyrimidin-2-ylamino]-4-methylaniline (Reference Example 19) and 4-(4-ethylpiperazin-1-ylmethyl)-3-trifluoromethylbenzoyl chloride dihydrochloride (Reference Example 5) were used, and that the reaction was conducted at room temperature for 24 hours and the amorphous obtained by purification with silica gel column chromatography was crystallized by adding chloroform-diethyl ether (1:1).

WORKUP

后处理

customthe amorphous obtained by purification with silica gel column chromatography
customwas crystallized
additionby adding chloroform-diethyl ether (1:1)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2b0e0a4ac37420cafb0095435be0e47
来源数据集: uspto-grants-2010_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07728131B2
来源说明: uspto-grants-2010_06

反应 SMILES

[Br:1][C:2]1[CH:3]=[C:4]([C:8]2[CH:13]=[CH:12][N:11]=[C:10]([NH:14][C:15]3[CH:16]=[C:17]([CH:19]=[CH:20][C:21]=3[CH3:22])[NH2:18])[N:9]=2)[CH:5]=[N:6][CH:7]=1.Cl.Cl.[CH2:25]([N:27]1[CH2:32][CH2:31][N:30]([CH2:33][C:34]2[CH:42]=[CH:41][C:37]([C:38](Cl)=[O:39])=[CH:36][C:35]=2[C:43]([F:46])([F:45])[F:44])[CH2:29][CH2:28]1)[CH3:26]>>[CH2:25]([N:27]1[CH2:28][CH2:29][N:30]([CH2:33][C:34]2[CH:42]=[CH:41][C:37]([C:38]([NH:18][C:17]3[CH:19]=[CH:20][C:21]([CH3:22])=[C:15]([NH:14][C:10]4[N:9]=[C:8]([C:4]5[CH:5]=[N:6][CH:7]=[C:2]([Br:1])[CH:3]=5)[CH:13]=[CH:12][N:11]=4)[CH:16]=3)=[O:39])=[CH:36][C:35]=2[C:43]([F:46])([F:44])[F:45])[CH2:31][CH2:32]1)[CH3:26]