HRID2105021

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nccc2cc(N)ccc12

HCID58717298

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(CC)cc(C(Nc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)c2nc(Br)cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1F

HCID86607942

未命名化合物

PROCEDURE

实验过程

According to the procedure for the preparation of Intermediate 206.4, Intermediate 213.1 (1.02 g, 1.74 mmol) was converted to the chloro intermediate, which was displaced with di-tert-butyl (6-aminoisoquinolin-1-yl)imidodicarbonate (688 mg, 1.91 mmol) to afford after flash chromatography (0 to 60% EtOAc/hexanes gradient) 1.47 g of Intermediate 213.2 as a pale yellow solid.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-250436819805498dadd6652d7401cba2
来源数据集: uspto-grants-2009_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07576098B2
来源说明: uspto-grants-2009_08

反应 SMILES

[Br:1][C:2]1[N:3]=[C:4]([CH:26]([NH:38][C:39]2[CH:40]=[C:41]3[C:46](=[CH:47][CH:48]=2)[C:45]([N:49]([C:57]([O:59][C:60]([CH3:63])([CH3:62])[CH3:61])=[O:58])[C:50]([O:52][C:53]([CH3:56])([CH3:55])[CH3:54])=[O:51])=[N:44][CH:43]=[CH:42]3)[C:27]2[CH:32]=[C:31]([CH2:33][CH3:34])[CH:30]=[C:29]([O:35][CH3:36])[C:28]=2[F:37])[N:5]([C:7]([C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)[CH:6]=1.Br[C:65]1N=C(C(C2C=C(CC)C=C(OCC)C=2F)O)N(C(C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)C=1.BrC1N=C(C(Cl)C2C=C(CC)C=C(OC)C=2F)N(C(C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)C=1.NC1C=C2C(=CC=1)C(N(C(OC(C)(C)C)=O)C(OC(C)(C)C)=O)=NC=C2>>[Br:1][C:2]1[N:3]=[C:4]([CH:26]([NH:38][C:39]2[CH:40]=[C:41]3[C:46](=[CH:47][CH:48]=2)[C:45]([N:49]([C:50]([O:52][C:53]([CH3:55])([CH3:56])[CH3:54])=[O:51])[C:57]([O:59][C:60]([CH3:62])([CH3:61])[CH3:63])=[O:58])=[N:44][CH:43]=[CH:42]3)[C:27]2[CH:32]=[C:31]([CH2:33][CH3:34])[CH:30]=[C:29]([O:35][CH2:36][CH3:65])[C:28]=2[F:37])[N:5]([C:7]([C:20]2[CH:21]=[CH:22][CH:23]=[CH:24][CH:25]=2)([C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)[C:14]2[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=2)[CH:6]=1