HRID469396

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID517044

Potassium Acetate

C2H3KO2

结构：COc1ccc2c(c1)CCN(C1CCN(c3cc(C(=O)c4cc(C)c5c(c4)oc(=O)n5C)c(Cl)nn3)CC1)C(=O)N2

HCID25270810

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)CCN(C1CCN(c3cc(C(=O)c4cc(C)c5c(c4)oc(=O)n5C)c(=O)[nH]n3)CC1)C(=O)N2

HCID69812636

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID176

Acetic Acid

C2H4O2

PROCEDURE

实验过程

0.10 g (1.02 mmol) potassium acetate were added to 0.13 g (0.20 mmol) 3-{1-[6-chloro-5-(3,4-dimethyl-2-oxo-2,3-dihydro-benzoxazole-6-carbonyl)-pyridazin-3-yl]-piperidin-4-yl}-7-methoxy-1,3,4,5-tetrahydro-benzo[d][1,3]diazepin-2-one (mixture) in 2 mL acetic acid and the mixture was boiled for 16 h under a nitrogen atmosphere. Then the reaction mixture was purified by preparative HPLC-MS. The fractions containing the product were combined and freeze-dried.

WORKUP

后处理

customThen the reaction mixture was purified by preparative HPLC-MS
additionThe fractions containing the product
customfreeze-dried

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc68219d711746cabead25bac6d7eb59
来源数据集: uspto-grants-2014_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08629137B2
来源说明: uspto-grants-2014_01

反应 SMILES

C([O-])(=[O:3])C.[K+].Cl[C:7]1[N:12]=[N:11][C:10]([N:13]2[CH2:18][CH2:17][CH:16]([N:19]3[CH2:25][CH2:24][C:23]4[CH:26]=[C:27]([O:30][CH3:31])[CH:28]=[CH:29][C:22]=4[NH:21][C:20]3=[O:32])[CH2:15][CH2:14]2)=[CH:9][C:8]=1[C:33]([C:35]1[CH:45]=[C:44]([CH3:46])[C:38]2[N:39]([CH3:43])[C:40](=[O:42])[O:41][C:37]=2[CH:36]=1)=[O:34]>C(O)(=O)C>[CH3:43][N:39]1[C:38]2[C:44]([CH3:46])=[CH:45][C:35]([C:33]([C:8]3[C:7](=[O:3])[NH:12][N:11]=[C:10]([N:13]4[CH2:14][CH2:15][CH:16]([N:19]5[CH2:25][CH2:24][C:23]6[CH:26]=[C:27]([O:30][CH3:31])[CH:28]=[CH:29][C:22]=6[NH:21][C:20]5=[O:32])[CH2:17][CH2:18]4)[CH:9]=3)=[O:34])=[CH:36][C:37]=2[O:41][C:40]1=[O:42]