HRID904878

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID517045

Sodium Acetate

C2H3NaO2

结构：C#CCON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC(=NOC)C(=O)O)CS[C@H]12)c1csc(NC(=O)C(F)(F)F)n1

HCID131713245

未命名化合物

PRODUCTS

生成物

结构：C#CCON=C(C(=O)NC1C(=O)N2C(C(=O)O)=C(CSc3nnnn3CC(=NOC)C(=O)O)CS[C@H]12)c1csc(N)n1

HCID131713249

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID962

Water

H2O

PROCEDURE

实验过程

A mixture of 7-[2-(2-propynyloxyimino)-2-{2-(2,2,2-trifluoroacetamido)thiazol-4-yl}acetamido]-3-[1-(2-carboxy-2-methoxyiminoethyl)-1H-tetrazol-5yl]thiomethyl-3-cephem-4-carboxylic acid (syn isomer: in the 7-position) (2.0 g) and sodium acetate.trihydrate (3.71 g) in water (15 ml) was stirred overnight at room temperature. The solution was adjusted to pH 2.5 with 10% hydrochloric acid under ice-cooling and the resultant precipitates were filtered and washed with water to give 7-[2-(2-propynyloxyimino)-2-(2-aminothiazol-4-yl)acetamido]-3-[1-(2-carboxy-2-methoxyiminoethyl)-1H-tetrazol-5-yl]thiomethyl-3-cephem-4-carboxylic acid (syn isomer: in the 7-position).(1.12 g).

WORKUP

后处理

temperaturecooling
customthe resultant precipitates
filtrationwere filtered
washwashed with water

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7eb94c73f49e45348d0d94136eb2b72e
来源数据集: uspto-grants-1983_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US04420477
来源说明: uspto-grants-1983_12

反应 SMILES

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