HRID469421

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID18356852

未命名化合物

结构：CCn1c(=O)oc2cc(C(=O)c3cc(Cl)ncn3)cc(C)c21

HCID58181195

未命名化合物

PRODUCTS

生成物

结构：CCn1c(=O)oc2cc(C(=O)c3cc(N4CCC(N5CCc6cc(OC)ccc6NC5=O)CC4)ncn3)cc(C)c21

HCID25266268

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

PROCEDURE

实验过程

44 mg (0.20 mmol) 7-methoxy-3-piperidin-4-yl-1,3,4,5-tetrahydro-benzo[d][1,3]diazepin-2-one, 50 mg (0.20 mmol) 6-(6-chloro-pyrimidine-4-carbonyl)-3-ethyl-4-methyl-3H-benzoxazol-2-one and 56 μL (0.30 mmol) DIPEA were combined in 2 mL DMF and stirred overnight at RT. The reaction mixture was purified by preparative HPLC. The fractions containing the product were combined, the organic solvent was evaporated down and the residue was neutralised with 1N aqueous sodium hydroxide solution. The precipitate formed was suction filtered, washed with water and dried.

WORKUP

后处理

customThe reaction mixture was purified by preparative HPLC
additionThe fractions containing the product
customthe organic solvent was evaporated down
customThe precipitate formed
filtrationfiltered
washwashed with water
customdried

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ba5953ee21e40fe92ba54a8a5ab79b3
来源数据集: uspto-grants-2014_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08629137B2
来源说明: uspto-grants-2014_01

反应 SMILES

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