HRID500818

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(B(O)O)cc2)CC1

HCID5233014

4-(4-BOC-Piperazino)phenylboronic acid

C15H23BN2O4

结构：CS(=O)(=O)c1ccc(-c2cc3nccc(Oc4ccc([N+](=O)[O-])cc4F)c3s2)cc1

HCID58772878

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc4nccc(Oc5ccc([N+](=O)[O-])cc5F)c4s3)cc2)CC1

HCID59424537

未命名化合物

收率 70%

PROCEDURE

实验过程

Starting from the nitro-bromo compound 42, following the procedure described above for the synthesis of compound 48 (scheme 10, example 55) but substituting 4,4,5,5-tetramethyl-2-(4-(methylsulfonyl)phenyl)-1,3,2-dioxaborolane for 4-(4-(tert-butoxycarbonyl)piperazin-1-yl)phenylboronic acid, title compound 156 was obtained in 70% yield. LRMS (M+1) 550.6 (100%).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0fed0d1d813642eca888087952f1f1e4
来源数据集: uspto-grants-2010_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07772247B2
来源说明: uspto-grants-2010_08

反应 SMILES

[F:1][C:2]1[CH:27]=[C:26]([N+:28]([O-:30])=[O:29])[CH:25]=[CH:24][C:3]=1[O:4][C:5]1[CH:10]=[CH:9][N:8]=[C:7]2[CH:11]=[C:12]([C:14]3[CH:19]=[CH:18][C:17](S(C)(=O)=O)=[CH:16][CH:15]=3)[S:13][C:6]=12.[C:31]([O:35][C:36]([N:38]1[CH2:43][CH2:42][N:41](C2C=CC(B(O)O)=CC=2)[CH2:40][CH2:39]1)=[O:37])([CH3:34])([CH3:33])[CH3:32]>>[F:1][C:2]1[CH:27]=[C:26]([N+:28]([O-:30])=[O:29])[CH:25]=[CH:24][C:3]=1[O:4][C:5]1[CH:10]=[CH:9][N:8]=[C:7]2[CH:11]=[C:12]([C:14]3[CH:15]=[CH:16][C:17]([N:41]4[CH2:40][CH2:39][N:38]([C:36]([O:35][C:31]([CH3:34])([CH3:33])[CH3:32])=[O:37])[CH2:43][CH2:42]4)=[CH:18][CH:19]=3)[S:13][C:6]=12