HRID1506503

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID382219

Diethyl 2-((tert-butoxycarbonyl)amino)malonate

C12H21NO6

结构：CCOC(=O)C(CCc1ccc2c(c1)CCc1c-2noc1-c1noc(-c2ccccc2)c1C(F)(F)F)N=C(c1ccccc1)c1ccccc1

HCID86669931

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(CCc1ccc2c(c1)CCc1c-2noc1-c1noc(-c2ccccc2)c1C(F)(F)F)(NC(=O)OC(C)(C)C)C(=O)OCC

HCID68182047

未命名化合物

CONDITIONS

反应条件

温度: 70 °C

PROCEDURE

实验过程

The titled compound was prepared using the experimental protocol described for Preparation 91A employing diethyl 2-(tert-butoxycarbonylamino)malonate as a starting material. The reaction was heated at 70° C. for 7 hr. The compound had an LC/MS [M-Boc]+1=584.5.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80a6909c10c6430f923a98283820f61d
来源数据集: uspto-grants-2015_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09216972B2
来源说明: uspto-grants-2015_12

反应 SMILES

C1(C(=NC([CH2:21][CH2:22][C:23]2[CH:24]=[C:25]3[C:48](=[CH:49][CH:50]=2)[C:29]2=[N:30][O:31][C:32]([C:33]4[C:37]([C:38]([F:41])([F:40])[F:39])=[C:36]([C:42]5[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=5)[O:35][N:34]=4)=[C:28]2[CH2:27][CH2:26]3)C(OCC)=O)C2C=CC=CC=2)C=CC=CC=1.[C:51]([O:55][C:56]([NH:58][CH:59]([C:65]([O:67][CH2:68][CH3:69])=[O:66])[C:60]([O:62][CH2:63][CH3:64])=[O:61])=[O:57])([CH3:54])([CH3:53])[CH3:52]>>[C:51]([O:55][C:56]([NH:58][C:59]([CH2:21][CH2:22][C:23]1[CH:24]=[C:25]2[C:48](=[CH:49][CH:50]=1)[C:29]1=[N:30][O:31][C:32]([C:33]3[C:37]([C:38]([F:40])([F:41])[F:39])=[C:36]([C:42]4[CH:43]=[CH:44][CH:45]=[CH:46][CH:47]=4)[O:35][N:34]=3)=[C:28]1[CH2:27][CH2:26]2)([C:60]([O:62][CH2:63][CH3:64])=[O:61])[C:65]([O:67][CH2:68][CH3:69])=[O:66])=[O:57])([CH3:54])([CH3:52])[CH3:53]