HRID477550

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID516892

Sodium Bicarbonate

CHNaO3

$结构：CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12)c1csc(N)n1$

HCID5742673

Cefotaxime

C16H17N5O7S2

HCID178524623

未命名化合物

PRODUCTS

生成物

$结构：CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnc4nc(C(=O)O)cc(O)n34)CS[C@H]12)c1csc(N)n1$

HCID178502826

未命名化合物

收率 15.6%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID1061

Phosphate

O4P-3

PROCEDURE

实验过程

Starting from the product obtained in Step 2 (6.7 g) and the product obtained in Step 2 of Example 7 (15 g) and using 240 ml of 0.1M phosphate buffer (pH 6.4) and 8.0 g of sodium bicarbonate, 3 g of the objective compound was obtained in a manner similar to Step 4 of Example 37.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6018b75a88c94d4481fc755c6b331638
来源数据集: uspto-grants-1989_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US04888332
来源说明: uspto-grants-1989_12

反应 SMILES

[C:1]([C:4]1[CH:9]=[C:8]([OH:10])[N:7]2[C:11]([SH:14])=[N:12][N:13]=[C:6]2[N:5]=1)([OH:3])=[O:2].C(O[CH2:19][C:20]1[CH2:27][S:26][C@H:25]2[N:22]([C:23](=[O:41])[C@H:24]2[NH:28][C:29](=[O:40])/[C:30](/[C:34]2[N:35]=[C:36]([NH2:39])[S:37][CH:38]=2)=[N:31]\[O:32][CH3:33])[C:21]=1[C:42]([OH:44])=[O:43])(=O)C.C(=O)(O)[O-].[Na+]>P([O-])([O-])([O-])=O>[NH2:39][C:36]1[S:37][CH:38]=[C:34](/[C:30](=[N:31]/[O:32][CH3:33])/[C:29]([NH:28][C@@H:24]2[C:23](=[O:41])[N:22]3[C@@H:25]2[S:26][CH2:27][C:20]([CH2:19][S:14][C:11]2[N:7]4[C:8]([OH:10])=[CH:9][C:4]([C:1]([OH:3])=[O:2])=[N:5][C:6]4=[N:13][N:12]=2)=[C:21]3[C:42]([OH:44])=[O:43])=[O:40])[N:35]=1