HRID1797986

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6367

Acetyl chloride

C2H3ClO

HCID81531

Diisopropylethylamine

C8H19N

结构：COC(=O)N1CCN(C(=N)c2cccc(NC(=O)Nc3ccc(S(=O)(=O)NCc4ccc(S(N)(=O)=O)cc4)cc3)c2)CC1

HCID57496162

未命名化合物

PRODUCTS

生成物

结构：COC(=O)N1CCN(C(=NC(C)=O)c2cccc(NC(=O)Nc3ccc(S(=O)(=O)NCc4ccc(S(N)(=O)=O)cc4)cc3)c2)CC1

HCID46852302

未命名化合物

收率 19%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID22350042

未命名化合物

CONDITIONS

反应条件

温度: 0 °C

PROCEDURE

实验过程

100 mg of compound 60 were dissolved in 2 ml of DCM/DMF 1:1 solution, containing 2 eq of DIEA. Under stirring and at 0° C., 6 eq of acetylchloride were added portionwise during 30 minutes. The solution was stirred overnight at rt, then water was added and a precipitate formed. The precipitate was separated and the title compound was obtained after preparative HPLC purification.

WORKUP

后处理

stirringThe solution was stirred overnight at rt
customa precipitate formed
customThe precipitate was separated

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8bfd9bf696644d6898cdbc850aa1deaf
来源数据集: uspto-grants-2013_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08343963B2
来源说明: uspto-grants-2013_01

反应 SMILES

[NH:1]=[C:2]([C:13]1[CH:18]=[CH:17][CH:16]=[C:15]([NH:19][C:20]([NH:22][C:23]2[CH:28]=[CH:27][C:26]([S:29](=[O:43])(=[O:42])[NH:30][CH2:31][C:32]3[CH:37]=[CH:36][C:35]([S:38](=[O:41])(=[O:40])[NH2:39])=[CH:34][CH:33]=3)=[CH:25][CH:24]=2)=[O:21])[CH:14]=1)[N:3]1[CH2:8][CH2:7][N:6]([C:9]([O:11][CH3:12])=[O:10])[CH2:5][CH2:4]1.CCN(C(C)C)C(C)C.[C:53](Cl)(=[O:55])[CH3:54].O>C(Cl)Cl.CN(C=O)C>[C:53]([N:1]=[C:2]([C:13]1[CH:18]=[CH:17][CH:16]=[C:15]([NH:19][C:20]([NH:22][C:23]2[CH:24]=[CH:25][C:26]([S:29](=[O:42])(=[O:43])[NH:30][CH2:31][C:32]3[CH:37]=[CH:36][C:35]([S:38](=[O:41])(=[O:40])[NH2:39])=[CH:34][CH:33]=3)=[CH:27][CH:28]=2)=[O:21])[CH:14]=1)[N:3]1[CH2:4][CH2:5][N:6]([C:9]([O:11][CH3:12])=[O:10])[CH2:7][CH2:8]1)(=[O:55])[CH3:54]