HRID573939

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：C=CCNCCc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1

HCID90412883

未命名化合物

$结构：Cc1ccc(C(C)C)c(N2C(=O)C(c3ccc([N+](=O)[O-])cc3)S/C2=N\C(=O)[O-])c1$

HCID178424959

未命名化合物

PRODUCTS

生成物

$结构：C=CCN(CCc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1)C(=O)/N=C1\SCC(=O)N1c1cc(C)ccc1C(C)C$

HCID90414028

未命名化合物

PROCEDURE

实验过程

The title compound was prepared as described in Example 95 using N-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenethyl)prop-2-en-1-amine (CB26) and (Z)-4-nitrophenyl(3-(2-isopropyl-5-methylphenyl)-4-oxothiazolidin-2-ylidene)carbamate (CA50), purified by flash column chromatography using 0-100% ethyl acetate/B, where B=1:1 dichloromethane/hexanes, as eluent and isolated as a brown oil (0.040 g, 43%).

WORKUP

后处理

custompurified by flash column chromatography

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32ed8630b9c148718065f24bf6a310be
来源数据集: uspto-grants-2015_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09029560B2
来源说明: uspto-grants-2015_05

反应 SMILES

[F:1][C:2]([F:28])([F:27])[O:3][C:4]1[CH:9]=[CH:8][C:7]([N:10]2[CH:14]=[N:13][C:12]([C:15]3[CH:26]=[CH:25][C:18]([CH2:19][CH2:20][NH:21][CH2:22][CH:23]=[CH2:24])=[CH:17][CH:16]=3)=[N:11]2)=[CH:6][CH:5]=1.[N+](C1C=CC([CH:38]2[S:42]/[C:41](=[N:43]\[C:44](=O)[O-:45])/[N:40]([C:47]3[CH:52]=[C:51]([CH3:53])[CH:50]=[CH:49][C:48]=3[CH:54]([CH3:56])[CH3:55])[C:39]2=[O:57])=CC=1)([O-])=O>>[CH2:22]([N:21]([CH2:20][CH2:19][C:18]1[CH:25]=[CH:26][C:15]([C:12]2[N:13]=[CH:14][N:10]([C:7]3[CH:6]=[CH:5][C:4]([O:3][C:2]([F:1])([F:27])[F:28])=[CH:9][CH:8]=3)[N:11]=2)=[CH:16][CH:17]=1)[C:44](/[N:43]=[C:41]1\[S:42][CH2:38][C:39](=[O:57])[N:40]\1[C:47]1[CH:52]=[C:51]([CH3:53])[CH:50]=[CH:49][C:48]=1[CH:54]([CH3:55])[CH3:56])=[O:45])[CH:23]=[CH2:24]