HRID469392

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：COc1ccc2c(c1)CCN(C1CCNCC1)C(=O)N2

HCID18356852

未命名化合物

反应SMILES：Cc1cc(C(=O)c2cc(F)cc(C#N)c2)cc2oc(=O)[nH]c12

HCID58181157

未命名化合物

PRODUCTS

产物

反应SMILES：COc1ccc2c(c1)CCN(C1CCN(c3cc(C#N)cc(C(=O)c4cc(C)c5[nH]c(=O)oc5c4)c3)CC1)C(=O)N2

HCID25269807

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6228

Dimethylformamide

C3H7NO

PROCEDURE

实验过程

0.22 g (0.80 mmol) 7-methoxy-3-piperidin-4-yl-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one and 0.12 g (0.40 mmol) 3-fluoro-5-(4-methyl-2-oxo-2,3-dihydro-benzoxazole-6-carbonyl)-benzonitrile were heated to 300° C. for approx. 10 min. Then the mixture was dissolved in DMF and purified by preparative HPLC-MS. The fractions containing the product were combined and the organic solvent was evaporated down. 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

custompurified by preparative HPLC-MS
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-6596f36596844cca922ede0cb9bc2fdf
来源数据集: uspto-grants-2014_01
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US08629137B2
来源说明: uspto-grants-2014_01

反应SMILES

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