HRID449236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1ccc(Cl)c(-c2cc(C)c3nc(Nc4ccc(S(=O)(=O)N(C)CCN5CCOCC5)cc4)nnc3c2)c1

HCID59837649

未命名化合物

HCID59837772

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(=O)(=O)N(C)CCN4CCOCC4)cc3)nc12

HCID11649873

未命名化合物

PROCEDURE

实验过程

To synthesize the title compound (CLXXII), intermediate compounds 67 (4-bromo-N-methyl-benzenesulfonamide), 68 (4-bromo-N-methyl-N-(2-morpholin-4-yl-ethyl)-benzenesulfonamide) and 69 (4-[7-(2-chloro-5-methoxy-phenyl)-5-methyl-benzo[1,2,4]triazin-3-ylamino]-N-methyl-N-(2-morpholin-4-yl-ethyl)-benzenesulfonamide) shown below were used.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb73575accb942b3999da0fd2467f425
来源数据集: uspto-grants-2013_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08481536B2
来源说明: uspto-grants-2013_07

反应 SMILES

BrC1C=CC(S(N(C)CCN2CCOCC2)(=O)=O)=CC=1.[Cl:21][C:22]1[CH:27]=[CH:26][C:25]([O:28]C)=[CH:24][C:23]=1[C:30]1[CH:59]=[C:58]([CH3:60])[C:33]2[N:34]=[C:35]([NH:38][C:39]3[CH:44]=[CH:43][C:42]([S:45]([N:48]([CH3:57])[CH2:49][CH2:50][N:51]4[CH2:56][CH2:55][O:54][CH2:53][CH2:52]4)(=[O:47])=[O:46])=[CH:41][CH:40]=3)[N:36]=[N:37][C:32]=2[CH:31]=1>>[Cl:21][C:22]1[CH:27]=[CH:26][C:25]([OH:28])=[CH:24][C:23]=1[C:30]1[CH:59]=[C:58]([CH3:60])[C:33]2[N:34]=[C:35]([NH:38][C:39]3[CH:40]=[CH:41][C:42]([S:45]([N:48]([CH3:57])[CH2:49][CH2:50][N:51]4[CH2:56][CH2:55][O:54][CH2:53][CH2:52]4)(=[O:46])=[O:47])=[CH:43][CH:44]=3)[N:36]=[N:37][C:32]=2[CH:31]=1