HRID928302

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22135751

2-Chloropyrimidine-4-carboxylic acid

C5H3ClN2O2

结构：Nc1nccn2c([C@@H]3CCCN3)nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c12

HCID71226368

未命名化合物

PRODUCTS

生成物

结构：Nc1nccn2c([C@@H]3CCCN3C(=O)c3ccnc(Cl)n3)nc(-c3ccc(C(=O)Nc4ccccn4)cc3)c12

HCID71607582

未命名化合物

收率 40.4%

PROCEDURE

实验过程

This compound was prepared, in an analogous manner as described in Example 2, from the compound described in intermediate 2b and 2-chloropyrimidine-4-carboxylic acid, to afford the title compound (8.3 mg, 40.4%). Data: UPLC (C) Rt: 1.64 min; m/z 540.1 (M+H)+.

WORKUP

后处理

customThis compound was prepared, in an analogous manner

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f76738c4af941b7a465b50352e8f02e
来源数据集: uspto-grants-2016_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09290504B2
来源说明: uspto-grants-2016_03

反应 SMILES

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