HRID1045499

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2733382

4-Fluoro-2-(trifluoromethyl)phenyl isocyanate

C8H3F4NO

结构：C=C(N)/C=C/C(=C/C)Nc1ccnc2c1CN(Cc1ccc(OC)cc1)C(=O)N2

HCID131730920

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2Cc3c(Nc4ccc(NC(=O)Nc5ccc(F)cc5C(F)(F)F)cc4)ccnc3NC2=O)cc1

HCID70498022

未命名化合物

PROCEDURE

实验过程

The title compound was synthesized according to the procedure described for the preparation of Example 63 using 5-[(Z)-4-amino-1-eth-(E)-ylidene-penta-2,4-dienylamino]-3-(4-methoxy-benzyl)-3,4-dihydro-1H-pyrido[2,3-d]pyrimidin-2-one and 4-fluoro-1-isocyanato-2-trifluoromethyl-benzene. LC-MS (M+H=581, obsd.=581).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2649bd06c94444e880f441197106ed29
来源数据集: uspto-grants-2013_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08569295B2
来源说明: uspto-grants-2013_10

反应 SMILES

[NH2:1][C:2](=C)/[CH:3]=[CH:4]/[C:5](/[NH:8][C:9]1[C:18]2[CH2:17][N:16]([CH2:19][C:20]3[CH:25]=[CH:24][C:23]([O:26][CH3:27])=[CH:22][CH:21]=3)[C:15](=[O:28])[NH:14][C:13]=2[N:12]=[CH:11][CH:10]=1)=[CH:6]/[CH3:7].[F:30][C:31]1[CH:36]=[CH:35][C:34]([N:37]=[C:38]=[O:39])=[C:33]([C:40]([F:43])([F:42])[F:41])[CH:32]=1>>[F:30][C:31]1[CH:36]=[CH:35][C:34]([NH:37][C:38]([NH:1][C:2]2[CH:7]=[CH:6][C:5]([NH:8][C:9]3[C:18]4[CH2:17][N:16]([CH2:19][C:20]5[CH:25]=[CH:24][C:23]([O:26][CH3:27])=[CH:22][CH:21]=5)[C:15](=[O:28])[NH:14][C:13]=4[N:12]=[CH:11][CH:10]=3)=[CH:4][CH:3]=2)=[O:39])=[C:33]([C:40]([F:41])([F:42])[F:43])[CH:32]=1