HRID1944889

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(Sc4ccc(Br)cc4)cc23)c1

HCID58505094

未命名化合物

结构：COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)CCCCCCCCCCCO)cc23)c1

HCID66988573

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4ccc(Br)cc4)cc23)c1

HCID66988258

未命名化合物

PROCEDURE

实验过程

The title compound was synthesized in a manner analogous to that described for Intermediate 61, using Intermediate 60 as a substrate. ES/MS calcd. for C24H21BrN3O4S+ 526.0. Found m/z=526.1 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61f81061f0a04092a68d109d125784d7
来源数据集: uspto-grants-2013_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08394829B2
来源说明: uspto-grants-2013_03

反应 SMILES

OCCCCC[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][S:13]([C:16]1[CH:17]=[C:18]2[C:23](=[C:24]([CH3:26])[CH:25]=1)[N:22]=[CH:21][C:20]([C:27]([NH2:29])=[O:28])=[C:19]2[NH:30][C:31]1[CH:36]=[CH:35][CH:34]=[C:33]([O:37][CH3:38])[CH:32]=1)(=[O:15])=[O:14].[Br:39]C1C=CC(SC2C=C3C(=C(C)C=2)N=CC(C(N)=O)=C3NC2C=CC=C(OC)C=2)=CC=1>>[Br:39][C:9]1[CH:8]=[CH:7][C:12]([S:13]([C:16]2[CH:17]=[C:18]3[C:23](=[C:24]([CH3:26])[CH:25]=2)[N:22]=[CH:21][C:20]([C:27]([NH2:29])=[O:28])=[C:19]3[NH:30][C:31]2[CH:36]=[CH:35][CH:34]=[C:33]([O:37][CH3:38])[CH:32]=2)(=[O:15])=[O:14])=[CH:11][CH:10]=1