HRID30083

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID688090

Diphenyl N-cyanocarbonimidate

C14H10N2O2

结构：Cc1cc(F)ccc1-c1nc(NCCN)nc2c1ccc(=O)n2-c1c(F)cccc1F

HCID59639577

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(F)ccc1-c1nc(NCCN=C(NC#N)Oc2ccccc2)nc2c1ccc(=O)n2-c1c(F)cccc1F

HCID59789334

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID3776

Isopropanol

C3H8O

PROCEDURE

实验过程

The title compound from Example 8 [8-(2,6-Difluorophenyl)-4-(4-fluoro-2-methylphenyl)-2-[(2-aminoethyl)amino]-8H-pyrido[2,3-d]pyrimidin-7-one](0.382 g, 0.0009 mol) was treated with stirring with diphenylcyanocarbonimidate (0.214 g, 0.0009 mol) in isopropanol (5 mL). Stirred at 23° for 0.5 hours. LC/MS showed a new major peak corresponding to the desired product and no starting material in the solution. LC MS (m/e)=570(MH+). Rt=2.24 min.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a6eb4884d534449dbc2caff6019af854
来源数据集: uspto-grants-2008_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07423042B2
来源说明: uspto-grants-2008_09

反应 SMILES

[NH2:1][CH2:2][CH2:3][NH:4][C:5]1[N:6]=[C:7]([C:24]2[CH:29]=[CH:28][C:27]([F:30])=[CH:26][C:25]=2[CH3:31])[C:8]2[CH:14]=[CH:13][C:12](=[O:15])[N:11]([C:16]3[C:21]([F:22])=[CH:20][CH:19]=[CH:18][C:17]=3[F:23])[C:9]=2[N:10]=1.[CH:32]1[CH:37]=[CH:36][C:35]([O:38][C:39](OC2C=CC=CC=2)=[N:40][C:41]#[N:42])=[CH:34][CH:33]=1>C(O)(C)C>[C:41]([NH:40][C:39](=[N:1][CH2:2][CH2:3][NH:4][C:5]1[N:6]=[C:7]([C:24]2[CH:29]=[CH:28][C:27]([F:30])=[CH:26][C:25]=2[CH3:31])[C:8]2[CH:14]=[CH:13][C:12](=[O:15])[N:11]([C:16]3[C:17]([F:23])=[CH:18][CH:19]=[CH:20][C:21]=3[F:22])[C:9]=2[N:10]=1)[O:38][C:35]1[CH:36]=[CH:37][CH:32]=[CH:33][CH:34]=1)#[N:42]