HRID2068438

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

结构：COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1.Cl

HCID443939

Doxorubicin hydrochloride

C27H30ClNO11

HCID5284359

未命名化合物

PRODUCTS

生成物

结构：COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1

HCID31703

Doxorubicin

C27H29NO11

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID125132

1,3-Bis(tris(hydroxymethyl)methylamino)propaneBis-tris propane

C11H26N2O6

PROCEDURE

实验过程

The core fluid solution were prepared by mixing doxorubicin hydrochloride, or DOXO in about 10 mM Bis-Tris propane aqueous solution containing about 1 wt % of isopropanol and about 2 mM of CaCl2. The final concentration of DOXO in the core fluid solution was about 1,000 μg/mL.

WORKUP

后处理

customThe core fluid solution were prepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08e7aa230b3943d99a48d283161b3d03
来源数据集: uspto-grants-2012_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08297959B2
来源说明: uspto-grants-2012_10

反应 SMILES

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