HRID963521

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=C(Nc1cccc(CO)c1)NC1N=C(c2ccccc2F)c2ccccc2N(CC(=O)N2CC3CCC(CC3)C2)C1=O

HCID19081130

未命名化合物

PRODUCTS

生成物

结构：O=Cc1cccc(NC(=O)NC2N=C(c3ccccc3F)c3ccccc3N(CC(=O)N3CC4CCC(CC4)C3)C2=O)c1

HCID19081120

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID180

Acetone

C3H6O

PROCEDURE

实验过程

A mixture of N-[(3RS)-1-(3-azabicyclo[3.2.2]non-3-yl)carbonylmethyl-2,3-dihydro-5-(2-fluorophenyl)-2-oxo-1H-1,4-benzodiazepin-3-yl]-N'-(3-hydroxymethylphenyl)urea and mangan dioxide in acetone was stirred at room temperature for 3 hours. The mangan dioxide was removed by filtration, and the filtrate was evaporated to dryness, and washed with isopropyl ether to afford N-[(3RS)-1-(3-azabicyclo[3.2.2]non-3-yl)carbonylmethyl-2,3-dihydro-5-(2-fluorophenyl)-2-oxo-1H-1,4-benzodiazepin-3-yl]-N'-(3-formylphenyl)urea.

WORKUP

后处理

customThe mangan dioxide was removed by filtration
customthe filtrate was evaporated to dryness
washwashed with isopropyl ether

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef10aa864d264030b904c16ae5e15884
来源数据集: uspto-grants-1998_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05763437
来源说明: uspto-grants-1998_06

反应 SMILES

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