HRID1599918

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

HCID14798

Sodium Hydroxide

HNaO

2 次

HCID12801779

Propan-2-yl methanimidate--hydrogen chloride (1/1)

C4H10ClNO

反应SMILES：NCCCOc1ccc(C(=O)NC[C@H](NS(=O)(=O)c2ccccc2)C(=O)O)cc1.O=C(O)C(F)(F)F

HCID86752440

未命名化合物

PRODUCTS

产物

HCID22145617

Water TFA acetonitrile

C4H6F3NO3

收率 0.1%

反应SMILES：O=CNCCCOc1ccc(C(=O)NC[C@H](NS(=O)(=O)c2ccccc2)C(=O)O)cc1

HCID86752441

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

The TFA salt 9-1 (80 mg, 0.19 mmol) was dissolved in water at 0° and the pH of the solution was adjusted to 9 by addition of 1N NaOH. Isopropyl formimidate hydrochloride (130 mg, 0.95 mmol) was added in two portions 10 min apart maintaining pH 9 with additional 1N NaOH. After 60 rain at 0° the reaction was warmed to RT for 90 min, then lyophylized. Preparative HPLC (C-18, 0.1% TFA H2O/CH3CN) provided 9-2 as a white solid.

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e40444c7341945979b5fadd5b4e38f09
来源数据集: uspto-grants-1998_04
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US05741796
来源说明: uspto-grants-1998_04

反应SMILES

[C:1]([OH:7])([C:3]([F:6])([F:5])[F:4])=[O:2].FC(F)(F)C(O)=[O:11].[NH2:15][CH2:16][CH2:17][CH2:18][O:19][C:20]1[CH:43]=[CH:42][C:23]([C:24]([NH:26][CH2:27][C@H:28]([NH:32][S:33]([C:36]2[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=2)(=[O:35])=[O:34])[C:29]([OH:31])=[O:30])=[O:25])=[CH:22][CH:21]=1.[OH-].[Na+].Cl.[CH:47](=N)[O:48]C(C)C>O>[C:1]([OH:7])([C:3]([F:6])([F:5])[F:4])=[O:2].[OH2:11].[CH3:17][C:16]#[N:15].[CH:47]([NH:15][CH2:16][CH2:17][CH2:18][O:19][C:20]1[CH:21]=[CH:22][C:23]([C:24]([NH:26][CH2:27][C@H:28]([NH:32][S:33]([C:36]2[CH:37]=[CH:38][CH:39]=[CH:40][CH:41]=2)(=[O:35])=[O:34])[C:29]([OH:31])=[O:30])=[O:25])=[CH:42][CH:43]=1)=[O:48]