HRID1180955

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cn1cc(B2OC(C)(C)C(C)(C)O2)c(-c2ccc([N+](=O)[O-])cc2)n1

HCID68741729

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(O)(c2cc3c(Br)ccnc3n2S(=O)(=O)c2ccccc2)CC1

HCID68996075

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(-c2ccnc3c2cc(C2(O)CCN(C(=O)OC(C)(C)C)CC2)n3S(=O)(=O)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1

HCID68996061

未命名化合物

PROCEDURE

实验过程

Following the procedure described for Intermediate 100 using 1-methyl-3-(4-nitrophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole and 1,1-dimethylethyl 4-[4-bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-4-hydroxy-1-piperidinecarboxylate provided the title compound. ESMS [M+H]+: 659.2.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2abc56bee4c84c878fb4df137f393b55
来源数据集: uspto-grants-2007_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07282588B2
来源说明: uspto-grants-2007_10

反应 SMILES

[CH3:1][N:2]1[CH:6]=[C:5](B2OC(C)(C)C(C)(C)O2)[C:4]([C:16]2[CH:21]=[CH:20][C:19]([N+:22]([O-:24])=[O:23])=[CH:18][CH:17]=2)=[N:3]1.Br[C:26]1[CH:31]=[CH:30][N:29]=[C:28]2[N:32]([S:49]([C:52]3[CH:57]=[CH:56][CH:55]=[CH:54][CH:53]=3)(=[O:51])=[O:50])[C:33]([C:35]3([OH:48])[CH2:40][CH2:39][N:38]([C:41]([O:43][C:44]([CH3:47])([CH3:46])[CH3:45])=[O:42])[CH2:37][CH2:36]3)=[CH:34][C:27]=12>>[OH:48][C:35]1([C:33]2[N:32]([S:49]([C:52]3[CH:57]=[CH:56][CH:55]=[CH:54][CH:53]=3)(=[O:51])=[O:50])[C:28]3=[N:29][CH:30]=[CH:31][C:26]([C:5]4[C:4]([C:16]5[CH:17]=[CH:18][C:19]([N+:22]([O-:24])=[O:23])=[CH:20][CH:21]=5)=[N:3][N:2]([CH3:1])[CH:6]=4)=[C:27]3[CH:34]=2)[CH2:36][CH2:37][N:38]([C:41]([O:43][C:44]([CH3:47])([CH3:46])[CH3:45])=[O:42])[CH2:39][CH2:40]1