HRID605118

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：CC(C)(C)OC(=O)Nc1ccc(Sc2ccc(C(=O)Nc3cccc(Br)c3)cc2Nc2ncnc3ncccc23)cc1

HCID67040153

未命名化合物

PRODUCTS

生成物

HCID6422

未命名化合物

结构：Nc1ccc(Sc2ccc(C(=O)Nc3cccc(Br)c3)cc2Nc2ncnc3ncccc23)cc1

HCID67040884

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

The product of Example 68 was treated with trifluoroacetic acid (3 mL) in methylene chloride (3 mL) at room temperature for 30 minutes. The solvents were removed under vacuum to provide the title compound as a trifluoroacetic acid salt. 1H NMR (300 MHz, DMSO-D6) δ ppm: 6.65 (d, J=8.82 Hz, 2 H) 6.97 (d, J=8.46 Hz, 1 H) 7.17 (d, J=8.46 Hz, 2 H) 7.30 (m, 2 H) 7.72 (m, 1 H) 7.91 (m, 3 H) 8.05 (s, 1 H) 8.91 (s, 1 H) 9.12 (d, J=8.46 Hz, 1 H) 9.19 (d, J=3.68 Hz, 1 H) 10.36 (s, 1 H) 11.72 (s, 1 H); MS (ESI+) m/z 543/545 (M+H)+.

WORKUP

后处理

customThe solvents were removed under vacuum

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd3c763602cc45fca30a1c384617541d
来源数据集: uspto-grants-2011_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07910595B2
来源说明: uspto-grants-2011_03

反应 SMILES

C(OC(=O)[NH:7][C:8]1[CH:13]=[CH:12][C:11]([S:14][C:15]2[CH:20]=[CH:19][C:18]([C:21](=[O:30])[NH:22][C:23]3[CH:28]=[CH:27][CH:26]=[C:25]([Br:29])[CH:24]=3)=[CH:17][C:16]=2[NH:31][C:32]2[C:33]3[CH:41]=[CH:40][CH:39]=[N:38][C:34]=3[N:35]=[CH:36][N:37]=2)=[CH:10][CH:9]=1)(C)(C)C.[F:43][C:44]([F:49])([F:48])[C:45]([OH:47])=[O:46]>C(Cl)Cl>[NH2:7][C:8]1[CH:13]=[CH:12][C:11]([S:14][C:15]2[CH:20]=[CH:19][C:18]([C:21]([NH:22][C:23]3[CH:28]=[CH:27][CH:26]=[C:25]([Br:29])[CH:24]=3)=[O:30])=[CH:17][C:16]=2[NH:31][C:32]2[C:33]3[CH:41]=[CH:40][CH:39]=[N:38][C:34]=3[N:35]=[CH:36][N:37]=2)=[CH:10][CH:9]=1.[F:43][C:44]([F:49])([F:48])[C:45]([OH:47])=[O:46]