HRID876489

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)N1CC[C@@H](F)[C@@H](OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1

HCID131731015

未命名化合物

结构：Oc1cccc2ccc(-c3nnc4ccc(C5CC5)cn34)nc12

HCID136337808

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC[C@@H](F)[C@H](Oc2cccc3ccc(-c4nnc5ccc(C6CC6)cn45)nc23)CC1

HCID131731021

未命名化合物

PROCEDURE

实验过程

Prepared according to the method of Example 90 using cis-tert-butyl 4-fluoro-5-(4-nitrophenylsulfonyloxy)azepane-1-carboxylate in place of trans-tert-butyl 4-fluoro-5-(4-nitrophenylsulfonyloxy)azepane-1-carboxylate and 2-(6-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)quinolin-8-ol in place of 2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-6-fluoroquinolin-8-ol in Step C and running the reaction at 50° C.

WORKUP

后处理

customPrepared
customthe reaction at 50° C.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9f4c85bba034f0d90a1b56da4a96a41
来源数据集: uspto-grants-2015_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08987251B2
来源说明: uspto-grants-2015_03

反应 SMILES

[F:1][C@H:2]1[C@@H:8]([O:9]S(C2C=CC([N+]([O-])=O)=CC=2)(=O)=O)[CH2:7][CH2:6][N:5]([C:22]([O:24][C:25]([CH3:28])([CH3:27])[CH3:26])=[O:23])[CH2:4][CH2:3]1.[CH:29]1([C:32]2[CH:33]=[CH:34][C:35]3[N:36]([C:38]([C:41]4[CH:50]=[CH:49][C:48]5[C:43](=[C:44](O)[CH:45]=[CH:46][CH:47]=5)[N:42]=4)=[N:39][N:40]=3)[CH:37]=2)[CH2:31][CH2:30]1>>[CH:29]1([C:32]2[CH:33]=[CH:34][C:35]3[N:36]([C:38]([C:41]4[CH:50]=[CH:49][C:48]5[C:43](=[C:44]([O:9][C@H:8]6[C@H:2]([F:1])[CH2:3][CH2:4][N:5]([C:22]([O:24][C:25]([CH3:26])([CH3:27])[CH3:28])=[O:23])[CH2:6][CH2:7]6)[CH:45]=[CH:46][CH:47]=5)[N:42]=4)=[N:39][N:40]=3)[CH:37]=2)[CH2:31][CH2:30]1