HRID1032196

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID516892

Sodium Bicarbonate

CHNaO3

$结构：CC(=O)Oc1ccc(C(O/N=C(\C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4cc(C)nc5nc(C(=O)O)nn45)CS[C@H]23)c2csc(N)n2)C(=O)O)cc1OC(C)=O$

HCID14050781

未命名化合物

PRODUCTS

生成物

$结构：Cc1cc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)/C(=N\OC(C(=O)O)c4ccc(O)c(O)c4)c4csc(N)n4)[C@H]3SC2)n2nc(C(=O)O)nc2n1$

HCID14050787

未命名化合物

收率 62.2%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID962

Water

H2O

PROCEDURE

实验过程

The product obtained in Step 3 (0.25 g) was suspended in water (10 ml), and the pH of the mixture was adjusted to 8.0 with sodium bicarbonate. After stirring at room temperature for 6 hours, the resulting solution was applied to a Diaion HP 10 column. The objective fractions eluted with water were collected and lyophilized, giving 0.14 g of the objective compound (as sodium salt).

WORKUP

后处理

washThe objective fractions eluted with water
customwere collected

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-949eb113432442b9a2a984be4dd50272
来源数据集: uspto-grants-1990_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US04956474
来源说明: uspto-grants-1990_09

反应 SMILES

[NH2:1][C:2]1[S:3][CH:4]=[C:5](/[C:7](=[N:38]/[O:39][CH:40]([C:55]([OH:57])=[O:56])[C:41]2[CH:46]=[CH:45][C:44]([O:47]C(=O)C)=[C:43]([O:51]C(=O)C)[CH:42]=2)/[C:8]([NH:10][C@@H:11]2[C:18](=[O:19])[N:17]3[C@@H:12]2[S:13][CH2:14][C:15]([CH2:23][S:24][C:25]2[N:30]4[N:31]=[C:32]([C:34]([OH:36])=[O:35])[N:33]=[C:29]4[N:28]=[C:27]([CH3:37])[CH:26]=2)=[C:16]3[C:20]([OH:22])=[O:21])=[O:9])[N:6]=1.C(=O)(O)[O-].[Na+]>O>[NH2:1][C:2]1[S:3][CH:4]=[C:5](/[C:7](=[N:38]/[O:39][CH:40]([C:55]([OH:57])=[O:56])[C:41]2[CH:46]=[CH:45][C:44]([OH:47])=[C:43]([OH:51])[CH:42]=2)/[C:8]([NH:10][C@@H:11]2[C:18](=[O:19])[N:17]3[C@@H:12]2[S:13][CH2:14][C:15]([CH2:23][S:24][C:25]2[N:30]4[N:31]=[C:32]([C:34]([OH:36])=[O:35])[N:33]=[C:29]4[N:28]=[C:27]([CH3:37])[CH:26]=2)=[C:16]3[C:20]([OH:22])=[O:21])=[O:9])[N:6]=1