HRID735641

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID15620607

Oxoacetic acid--water (1/1)

C2H4O4

结构：Cc1cc(B(O)O)ccc1CCCC(=O)Nc1cccc(C#N)c1

HCID57842818

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：Cc1cc(C(Nc2ccc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nccc3c2)C(=O)O)ccc1CCCC(=O)Nc1cccc(C#N)c1

HCID57842574

未命名化合物

收率 46%

PROCEDURE

实验过程

Using a procedure analogous to that used to prepare 2D, 55D (200 mg, 0.623 mmol) was reacted with Intermediate 1 and glyoxylic acid monohydrate to afford 55E (200 mg, 46%) as an oil. MS (ESI) m/z 694.4 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-01cff2f0e9dc421c9b58a81052c800c5
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:9][C:10](=[O:24])[CH2:11][CH2:12][CH2:13][C:14]2[CH:19]=[CH:18][C:17](B(O)O)=[CH:16][C:15]=2[CH3:23])[CH:6]=[CH:7][CH:8]=1)#[N:2].[NH2:25][C:26]1[CH:27]=[C:28]2[C:33](=[CH:34][CH:35]=1)[C:32]([N:36]([C:44]([O:46][C:47]([CH3:50])([CH3:49])[CH3:48])=[O:45])[C:37]([O:39][C:40]([CH3:43])([CH3:42])[CH3:41])=[O:38])=[N:31][CH:30]=[CH:29]2.O.[C:52]([OH:56])(=[O:55])[CH:53]=O>>[C:47]([O:46][C:44]([N:36]([C:37]([O:39][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:38])[C:32]1[C:33]2[C:28](=[CH:27][C:26]([NH:25][CH:53]([C:17]3[CH:18]=[CH:19][C:14]([CH2:13][CH2:12][CH2:11][C:10]([NH:9][C:5]4[CH:6]=[CH:7][CH:8]=[C:3]([C:1]#[N:2])[CH:4]=4)=[O:24])=[C:15]([CH3:23])[CH:16]=3)[C:52]([OH:56])=[O:55])=[CH:35][CH:34]=2)[CH:29]=[CH:30][N:31]=1)=[O:45])([CH3:50])([CH3:49])[CH3:48]