HRID1772536

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CNCCc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1

HCID90411907

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

$结构：Cc1ccc(C(C)C)c(N2C(=O)CS/C2=N\C(=O)N(C)CCc2ccc(-c3ncn(-c4ccc(OC(F)(F)F)cc4)n3)cc2)c1$

HCID78319354

未命名化合物

PROCEDURE

实验过程

The title compound was prepared as described in Example 95 using N-methyl-2-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)ethanamine (CB24) 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 pale orange foam (0.160 g, 63%).

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-c422c17396b34e3bbe30cc1c14a463b1
来源数据集: uspto-grants-2016_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09249133B2
来源说明: uspto-grants-2016_02

反应 SMILES

[CH3:1][NH:2][CH2:3][CH2:4][C:5]1[CH:10]=[CH:9][C:8]([C:11]2[N:15]=[CH:14][N:13]([C:16]3[CH:21]=[CH:20][C:19]([O:22][C:23]([F:26])([F:25])[F:24])=[CH:18][CH:17]=3)[N:12]=2)=[CH:7][CH:6]=1.[N+](C1C=CC([CH:36]2[S:40]/[C:39](=[N:41]\[C:42](=[O:44])[O-])/[N:38]([C:45]3[CH:50]=[C:49]([CH3:51])[CH:48]=[CH:47][C:46]=3[CH:52]([CH3:54])[CH3:53])[C:37]2=[O:55])=CC=1)([O-])=O>>[CH:52]([C:46]1[CH:47]=[CH:48][C:49]([CH3:51])=[CH:50][C:45]=1[N:38]1[C:37](=[O:55])[CH2:36][S:40]/[C:39]/1=[N:41]\[C:42](=[O:44])[N:2]([CH3:1])[CH2:3][CH2:4][C:5]1[CH:10]=[CH:9][C:8]([C:11]2[N:15]=[CH:14][N:13]([C:16]3[CH:21]=[CH:20][C:19]([O:22][C:23]([F:24])([F:26])[F:25])=[CH:18][CH:17]=3)[N:12]=2)=[CH:7][CH:6]=1)([CH3:53])[CH3:54]