HRID2283976

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID45088929

[2-(Dimethylamino)pyrimidin-5-yl]boronic acid

C6H10BN3O2

结构：Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2ccc(F)cc2)CC1

HCID89442482

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1ncc(-c2c(N)ncnc2N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3C)CC2)cn1

HCID89450618

未命名化合物

PROCEDURE

实验过程

The title compound was prepared in an analogous manner as 5-(4-Fluoro-phenyl)-6-{4-[4-(4-fluoro-3-trifluoromethyl-phenyl)-1-methyl-1H-imidazol-2-yl]-piperidin-1-yl}-pyrimidin-4-ylamine using (2-(dimethylamino)pyrimidin-5-yl)boronic acid instead of 4-fluorophenylboronic acid. LC-MS: (M+1=542, obsd.=542).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06274ede86034736b310a6c84c15908b
来源数据集: uspto-grants-2015_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09145392B2
来源说明: uspto-grants-2015_09

反应 SMILES

FC1C=[CH:6][C:5]([C:8]2[C:9]([NH2:37])=[N:10][CH:11]=[N:12][C:13]=2[N:14]2[CH2:19][CH2:18][CH:17]([C:20]3[N:21]([CH3:36])[CH:22]=[C:23]([C:25]4[CH:30]=[CH:29][C:28]([F:31])=[C:27]([C:32]([F:35])([F:34])[F:33])[CH:26]=4)[N:24]=3)[CH2:16][CH2:15]2)=[CH:4]C=1.[CH3:38][N:39]([CH3:49])[C:40]1[N:45]=CC(B(O)O)=C[N:41]=1>>[F:31][C:28]1[CH:29]=[CH:30][C:25]([C:23]2[N:24]=[C:20]([CH:17]3[CH2:18][CH2:19][N:14]([C:13]4[N:12]=[CH:11][N:10]=[C:9]([NH2:37])[C:8]=4[C:5]4[CH:4]=[N:41][C:40]([N:39]([CH3:49])[CH3:38])=[N:45][CH:6]=4)[CH2:15][CH2:16]3)[N:21]([CH3:36])[CH:22]=2)=[CH:26][C:27]=1[C:32]([F:35])([F:33])[F:34]