HRID1168528

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID4259817

Bromoacetic anhydride

C4H4Br2O3

结构：O=C(NCc1ccc(Cl)cc1)c1cnc2c(CNCc3ccccc3)cc(CN3CCOCC3)cc2c1O

HCID178522895

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccc(Cl)cc1)c1cn2c3c(cc(CN4CCOCC4)cc3c1=O)CN(Cc1ccccc1)C(=O)C2

HCID12083053

未命名化合物

收率 77.2%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID962

Water

H2O

溶剂HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

PROCEDURE

实验过程

Bromoacetic anhydride (40 mg) is added to a stirred solution of 8-((benzylamino)methyl)-N-(4-chlorobenzyl)-4-hydroxy-6-(4-morpholinylmethyl)-3-quinolinecarboxamide (Preparation 29, 53 mg) in NMP (0.3 mL). After 30 min, triethylamine (50 mg) is added. The solution is diluted with water and the resulting precipitate is filtered and dried under vacuum to give 44 mg of the title compound. Physical characteristics: HRMS m/z 571.2104 (C32H31ClN4O4).

WORKUP

后处理

filtrationthe resulting precipitate is filtered
customdried under vacuum

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c2eff30fa81c4194a5a9e924dddf1432
来源数据集: uspto-grants-2003_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06624159B2
来源说明: uspto-grants-2003_09

反应 SMILES

Br[CH2:2][C:3](OC(=O)CBr)=[O:4].[CH2:10]([NH:17][CH2:18][C:19]1[CH:20]=[C:21]([CH2:41][N:42]2[CH2:47][CH2:46][O:45][CH2:44][CH2:43]2)[CH:22]=[C:23]2[C:28]=1[N:27]=[CH:26][C:25]([C:29]([NH:31][CH2:32][C:33]1[CH:38]=[CH:37][C:36]([Cl:39])=[CH:35][CH:34]=1)=[O:30])=[C:24]2[OH:40])[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1.C(N(CC)CC)C>CN1C(=O)CCC1.O>[CH2:10]([N:17]1[CH2:18][C:19]2=[C:28]3[C:23](=[CH:22][C:21]([CH2:41][N:42]4[CH2:43][CH2:44][O:45][CH2:46][CH2:47]4)=[CH:20]2)[C:24](=[O:40])[C:25]([C:29]([NH:31][CH2:32][C:33]2[CH:38]=[CH:37][C:36]([Cl:39])=[CH:35][CH:34]=2)=[O:30])=[CH:26][N:27]3[CH2:2][C:3]1=[O:4])[C:11]1[CH:12]=[CH:13][CH:14]=[CH:15][CH:16]=1