HRID30085

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID688090

Diphenyl N-cyanocarbonimidate

C14H10N2O2

结构：NCCNc1nc(-c2ccc(F)cc2F)c2ccc(=O)n(-c3ccccc3F)c2n1

HCID59789333

未命名化合物

PRODUCTS

生成物

结构：N#CNC(=NCCNc1nc(-c2ccc(F)cc2F)c2ccc(=O)n(-c3ccccc3F)c2n1)Oc1ccccc1

HCID59789332

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID3776

Isopropanol

C3H8O

CONDITIONS

反应条件

温度: 20 °C

PROCEDURE

实验过程

To a solution of 2-[(2-aminoethyl)amino]-4-(2,4-difluorophenyl)-8-(2-fluorophenyl)pyrido[2,3-d]pyrimidin-7(8H)-one (28 mg, 0.070 mmol) in isopropanol (2 mL) was added diphenyl cyanocarbonimidate (17 mg, 0.070 mmol). The mixture was stirred for about 30 min at about 20° C. LC/MS showed a new peak corresponding to the desired product and no starting material in the solution. LC-MS m/z 556 (M+H)+, 3.24 min (ret time).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83e404ccb1e94720998b7aad81cd5039
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:23]2[CH:28]=[CH:27][C:26]([F:29])=[CH:25][C:24]=2[F:30])[C:8]2[CH:14]=[CH:13][C:12](=[O:15])[N:11]([C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][C:17]=3[F:22])[C:9]=2[N:10]=1.[CH:31]1[CH:36]=[CH:35][C:34]([O:37][C:38](OC2C=CC=CC=2)=[N:39][C:40]#[N:41])=[CH:33][CH:32]=1>C(O)(C)C>[C:40]([NH:39][C:38](=[N:1][CH2:2][CH2:3][NH:4][C:5]1[N:6]=[C:7]([C:23]2[CH:28]=[CH:27][C:26]([F:29])=[CH:25][C:24]=2[F:30])[C:8]2[CH:14]=[CH:13][C:12](=[O:15])[N:11]([C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][C:17]=3[F:22])[C:9]=2[N:10]=1)[O:37][C:34]1[CH:35]=[CH:36][CH:31]=[CH:32][CH:33]=1)#[N:41]