HRID735619

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15620607

Oxoacetic acid--water (1/1)

C2H4O4

HCID16782100

3-Amino-4-fluorobenzamide

C7H7FN2O

结构：CCc1cc(B(O)O)ccc1CCOC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(CN(C)C(=O)OC(C)(C)C)c1

HCID57842693

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(C(Nc2cc(C(N)=O)ccc2F)C(=O)O)ccc1CCOC(=O)Nc1ccc(S(=O)(=O)C(C)C)c(CN(C)C(=O)OC(C)(C)C)c1

HCID57842725

未命名化合物

收率 62%

PROCEDURE

实验过程

Using a procedure analogous to that used to prepare 2D, 43B (362 mg, 0.65 mmol) was reacted with 3-amino-4-fluorobenzamide and glyoxylic acid monohydrate to afford 43C (296 mg, 62%) as a yellow oil. MS (ESI) m/z 729.3 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8db93195244a4f1e80b34d6f50576ea6
来源数据集: uspto-grants-2009_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07592331B2
来源说明: uspto-grants-2009_09

反应 SMILES

[C:1]([O:5][C:6]([N:8]([CH2:10][C:11]1[CH:12]=[C:13]([NH:23][C:24]([O:26][CH2:27][CH2:28][C:29]2[CH:34]=[CH:33][C:32](B(O)O)=[CH:31][C:30]=2[CH2:38][CH3:39])=[O:25])[CH:14]=[CH:15][C:16]=1[S:17]([CH:20]([CH3:22])[CH3:21])(=[O:19])=[O:18])[CH3:9])=[O:7])([CH3:4])([CH3:3])[CH3:2].[NH2:40][C:41]1[CH:42]=[C:43]([CH:47]=[CH:48][C:49]=1[F:50])[C:44]([NH2:46])=[O:45].O.[C:52]([OH:56])(=[O:55])[CH:53]=O>>[C:1]([O:5][C:6]([N:8]([CH2:10][C:11]1[CH:12]=[C:13]([NH:23][C:24]([O:26][CH2:27][CH2:28][C:29]2[CH:34]=[CH:33][C:32]([CH:53]([NH:40][C:41]3[CH:42]=[C:43]([C:44](=[O:45])[NH2:46])[CH:47]=[CH:48][C:49]=3[F:50])[C:52]([OH:56])=[O:55])=[CH:31][C:30]=2[CH2:38][CH3:39])=[O:25])[CH:14]=[CH:15][C:16]=1[S:17]([CH:20]([CH3:22])[CH3:21])(=[O:19])=[O:18])[CH3:9])=[O:7])([CH3:4])([CH3:3])[CH3:2]