HRID564548

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(F)c(-c3cccc(CO)c3)c2)c1

HCID57813265

未命名化合物

PRODUCTS

生成物

HCID57813252

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

催化剂HCID14801

Manganese oxide (Mn2O4)

MnO2

溶剂HCID8028

Tetrahydrofuran

C4H8O

PROCEDURE

实验过程

N-{[1,6-Diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-N′-{[6-fluoro-3′-(hydroxymethyl)-3-biphenylyl]methyl}-1,3-benzenedicarboxamide (2.0 g, 3.0 mmol) in THF (50 mL) was added MnO2 (5.2 g, 60.0 mmol). The resulting solution was stirred at room temperature overnight. Then the solution was filtered though Celite. The solvent was removed and 2.0 g of the title compound were collected. Finally, LC-MS was taken to confirm structures. LC-MS m/z 664 (M+H)+, 1.86 min (ret time).

WORKUP

后处理

filtrationThen the solution was filtered though Celite
customThe solvent was removed
custom2.0 g of the title compound were collected
customLC-MS m/z 664 (M+H)+, 1.86 min (ret time)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74b0e3088f3944f78ad0a6dedacf08cd
来源数据集: uspto-grants-2011_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08067408B2
来源说明: uspto-grants-2011_11

反应 SMILES

[CH2:1]([N:3]1[C:7]2=[N:8][C:9]([CH2:48][CH3:49])=[C:10]([CH2:19][NH:20][C:21]([C:23]3[CH:28]=[CH:27][CH:26]=[C:25]([C:29]([NH:31][CH2:32][C:33]4[CH:34]=[C:35]([C:40]5[CH:45]=[CH:44][CH:43]=[C:42]([CH2:46][OH:47])[CH:41]=5)[C:36]([F:39])=[CH:37][CH:38]=4)=[O:30])[CH:24]=3)=[O:22])[C:11]([NH:12][CH:13]3[CH2:18][CH2:17][O:16][CH2:15][CH2:14]3)=[C:6]2[CH:5]=[N:4]1)[CH3:2]>C1COCC1.O=[Mn]=O>[CH2:1]([N:3]1[C:7]2=[N:8][C:9]([CH2:48][CH3:49])=[C:10]([CH2:19][NH:20][C:21]([C:23]3[CH:28]=[CH:27][CH:26]=[C:25]([C:29]([NH:31][CH2:32][C:33]4[CH:34]=[C:35]([C:40]5[CH:45]=[CH:44][CH:43]=[C:42]([CH:46]=[O:47])[CH:41]=5)[C:36]([F:39])=[CH:37][CH:38]=4)=[O:30])[CH:24]=3)=[O:22])[C:11]([NH:12][CH:13]3[CH2:18][CH2:17][O:16][CH2:15][CH2:14]3)=[C:6]2[CH:5]=[N:4]1)[CH3:2]