HRID735591

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15620607

Oxoacetic acid--water (1/1)

C2H4O4

结构：CCS(=O)(=O)c1ccc(NC(=O)OCCc2c(C)cc(B(O)O)cc2C)cc1C#N

HCID57842551

未命名化合物

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nccc2cc(N)ccc12

HCID58717298

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)c1ccc(NC(=O)OCCc2c(C)cc(C(Nc3ccc4c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc4c3)C(=O)O)cc2C)cc1C#N

HCID57842593

未命名化合物

收率 69%

PROCEDURE

实验过程

Using a procedure analogous to that used to prepare 2D, 32D (240 mg, 0.56 mmol) was reacted with Intermediate 1 and glyoxylic acid monohydrate to afford 32E (560 mg, 69%) as a yellow solid. MS (ESI) m/z 802.07 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7495a8f547a4187b519eb9ddb27a550
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]([C:3]1[CH:4]=[C:5]([NH:14][C:15]([O:17][CH2:18][CH2:19][C:20]2[C:25]([CH3:26])=[CH:24][C:23](B(O)O)=[CH:22][C:21]=2[CH3:30])=[O:16])[CH:6]=[CH:7][C:8]=1[S:9]([CH2:12][CH3:13])(=[O:11])=[O:10])#[N:2].[NH2:31][C:32]1[CH:33]=[C:34]2[C:39](=[CH:40][CH:41]=1)[C:38]([N:42]([C:50]([O:52][C:53]([CH3:56])([CH3:55])[CH3:54])=[O:51])[C:43]([O:45][C:46]([CH3:49])([CH3:48])[CH3:47])=[O:44])=[N:37][CH:36]=[CH:35]2.O.[C:58]([OH:62])(=[O:61])[CH:59]=O>>[C:53]([O:52][C:50]([N:42]([C:43]([O:45][C:46]([CH3:47])([CH3:48])[CH3:49])=[O:44])[C:38]1[C:39]2[C:34](=[CH:33][C:32]([NH:31][CH:59]([C:23]3[CH:24]=[C:25]([CH3:26])[C:20]([CH2:19][CH2:18][O:17][C:15](=[O:16])[NH:14][C:5]4[CH:6]=[CH:7][C:8]([S:9]([CH2:12][CH3:13])(=[O:11])=[O:10])=[C:3]([C:1]#[N:2])[CH:4]=4)=[C:21]([CH3:30])[CH:22]=3)[C:58]([OH:62])=[O:61])=[CH:41][CH:40]=2)[CH:35]=[CH:36][N:37]=1)=[O:51])([CH3:56])([CH3:55])[CH3:54]