HRID1772653

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)N1CC(c2cn3c(Br)cnc(N4CCOCC4)c3n2)C1

HCID117732281

未命名化合物

结构：CC1(C)OB(c2ccc(N3CCN(C(=O)OCc4ccccc4)CC3)nc2)OC1(C)C

HCID131734676

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(c2cn3c(-c4ccc(N5CCN(C(=O)OCc6ccccc6)CC5)nc4)cnc(N4CCOCC4)c3n2)C1

HCID117727918

未命名化合物

PROCEDURE

实验过程

Compound 29b was subjected to Suzuki coupling reaction conditions with benzyl 4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazine-1-carboxylate using the methods described in Example 1, Step G to obtain compound 29c. Mass Spectrum (LCMS, ESI pos.) Calcd. for C35H42N8O5: 655.3 (M+H). Found 655.3.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dad0d4b1db2149c4935dc5daba09a8d1
来源数据集: uspto-grants-2016_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09249163B2
来源说明: uspto-grants-2016_02

反应 SMILES

Br[C:2]1[N:7]2[CH:8]=[C:9]([CH:11]3[CH2:14][N:13]([C:15]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:16])[CH2:12]3)[N:10]=[C:6]2[C:5]([N:22]2[CH2:27][CH2:26][O:25][CH2:24][CH2:23]2)=[N:4][CH:3]=1.CC1(C)C(C)(C)OB([C:36]2[CH:37]=[CH:38][C:39]([N:42]3[CH2:47][CH2:46][N:45]([C:48]([O:50][CH2:51][C:52]4[CH:57]=[CH:56][CH:55]=[CH:54][CH:53]=4)=[O:49])[CH2:44][CH2:43]3)=[N:40][CH:41]=2)O1>>[C:18]([O:17][C:15]([N:13]1[CH2:14][CH:11]([C:9]2[N:10]=[C:6]3[C:5]([N:22]4[CH2:27][CH2:26][O:25][CH2:24][CH2:23]4)=[N:4][CH:3]=[C:2]([C:36]4[CH:37]=[CH:38][C:39]([N:42]5[CH2:47][CH2:46][N:45]([C:48]([O:50][CH2:51][C:52]6[CH:57]=[CH:56][CH:55]=[CH:54][CH:53]=6)=[O:49])[CH2:44][CH2:43]5)=[N:40][CH:41]=4)[N:7]3[CH:8]=2)[CH2:12]1)=[O:16])([CH3:21])([CH3:20])[CH3:19]