HRID1727815

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CN(C)Cc1ccc(-c2cc3c(Br)ccnc3n2S(=O)(=O)c2ccccc2)cc1

HCID68995219

未命名化合物

$结构：C=C(/C=C\C(=C/C)c1nn(CCN(C)C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1)[N+](=O)[O-]$

HCID86617392

未命名化合物

PRODUCTS

生成物

结构：CN(C)Cc1ccc(-c2cc3c(-c4cn(CCN(C)C(=O)OC(C)(C)C)nc4-c4ccc([N+](=O)[O-])cc4)ccnc3n2S(=O)(=O)c2ccccc2)cc1

HCID69456363

未命名化合物

PROCEDURE

实验过程

Following the procedure described for Intermediate 100 using 1,1-dimethylethyl {2-[3-[(1E,2Z)-1-ethylidene-4-nitro-2,4-pentadien-1-yl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]ethyl}methylcarbamate and ({4-[4-bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl}methyl)dimethylamine provided the title compound. ESMS [M+H]+: 736.4.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-757f647f39784cd99ccc5d803bd26204
来源数据集: uspto-grants-2009_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07495102B2
来源说明: uspto-grants-2009_02

反应 SMILES

[CH:1](=[C:3](/[C:11]1[C:15](B2OC(C)(C)C(C)(C)O2)=[CH:14][N:13]([CH2:25][CH2:26][N:27]([CH3:35])[C:28](=[O:34])[O:29][C:30]([CH3:33])([CH3:32])[CH3:31])[N:12]=1)\[CH:4]=[CH:5]/[C:6]([N+:8]([O-:10])=[O:9])=[CH2:7])\C.Br[C:37]1[CH:42]=[CH:41][N:40]=[C:39]2[N:43]([S:56]([C:59]3[CH:64]=[CH:63][CH:62]=[CH:61][CH:60]=3)(=[O:58])=[O:57])[C:44]([C:46]3[CH:51]=[CH:50][C:49]([CH2:52][N:53]([CH3:55])[CH3:54])=[CH:48][CH:47]=3)=[CH:45][C:38]=12>>[CH3:55][N:53]([CH2:52][C:49]1[CH:48]=[CH:47][C:46]([C:44]2[N:43]([S:56]([C:59]3[CH:64]=[CH:63][CH:62]=[CH:61][CH:60]=3)(=[O:58])=[O:57])[C:39]3=[N:40][CH:41]=[CH:42][C:37]([C:15]4[C:11]([C:3]5[CH:4]=[CH:5][C:6]([N+:8]([O-:10])=[O:9])=[CH:7][CH:1]=5)=[N:12][N:13]([CH2:25][CH2:26][N:27]([CH3:35])[C:28](=[O:34])[O:29][C:30]([CH3:31])([CH3:33])[CH3:32])[CH:14]=4)=[C:38]3[CH:45]=2)=[CH:51][CH:50]=1)[CH3:54]