HRID914671

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10256

1H-Indole-3-carboxaldehyde

C9H7NO

结构：CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)Cc2nnc(-c3ccccc3)n2-c2cc(F)c(F)cc21

HCID58957934

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)C(=Cc2c[nH]c3ccccc23)c2nnc(-c3ccccc3)n2-c2cc(F)c(F)cc21

HCID136352447

未命名化合物

收率 75.7%

PROCEDURE

实验过程

Following the procedure described for Example 1 (A), Step A, N-benzyl-2-(8,9-difluoro-5-oxo-1-phenyl-4,5-dihydro-2,3,6,10b-tetraaza-benzo[e]azulen-6-yl)-N-isopropyl-acetamide (Preparation 9) (200 mg, 0.399 mmol) was condensed over 24 hours with 1H-indole-3-carbaldehyde (70 mg, 0.479 mmol). Purification by medium pressure chromatography eluting with a solvent gradient (CH2Cl2 to 20% acetone in CH2Cl2) provided 190 mg of N-benzyl-2-[8,9-difluoro-4-(1H-indol-3-ylmethylene)-5-oxo-1-phenyl-4,5-dihydro-2,3,6,10b-tetraaza-benzo[e]azulen-6-yl]-N-isopropyl-acetamide. MS 629.3 (M+1), 627.3 (M−1).

WORKUP

后处理

customPurification by medium pressure chromatography
washeluting with a solvent gradient (CH2Cl2 to 20% acetone in CH2Cl2)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38b4aa0e0d874acfb3abd8c0d614368f
来源数据集: uspto-grants-2007_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07265104B2
来源说明: uspto-grants-2007_09

反应 SMILES

[CH2:1]([N:8]([CH:35]([CH3:37])[CH3:36])[C:9](=[O:34])[CH2:10][N:11]1[C:20](=[O:21])[CH2:19][C:18]2[N:14]([C:15]([C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=3)=[N:16][N:17]=2)[C:13]2[CH:28]=[C:29]([F:33])[C:30]([F:32])=[CH:31][C:12]1=2)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[NH:38]1[C:46]2[C:41](=[CH:42][CH:43]=[CH:44][CH:45]=2)[C:40]([CH:47]=O)=[CH:39]1>>[CH2:1]([N:8]([CH:35]([CH3:37])[CH3:36])[C:9](=[O:34])[CH2:10][N:11]1[C:20](=[O:21])[C:19](=[CH:47][C:40]2[C:41]3[C:46](=[CH:45][CH:44]=[CH:43][CH:42]=3)[NH:38][CH:39]=2)[C:18]2[N:14]([C:15]([C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=3)=[N:16][N:17]=2)[C:13]2[CH:28]=[C:29]([F:33])[C:30]([F:32])=[CH:31][C:12]1=2)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1