HRID131749

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID516892

Sodium Bicarbonate

CHNaO3

结构：CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O.O=C(O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O

HCID86583879

未命名化合物

PRODUCTS

生成物

结构：CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O

HCID36314

Paclitaxel

C47H51NO14

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID702

Ethanol

C2H6O

PROCEDURE

实验过程

The sodium salt of DTPA-paclitaxel was also obtained by adding a solution of DTPA-paclitaxel in ethanol into an equivalent amount of 0.05 M NaHCO3, followed by lyophilizing to yield a water-soluble solid powder (solubility>20 mg equivalent paclitaxel/ml).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68a1b04f08a14dc8b77820cd50f64b15
来源数据集: uspto-grants-2008_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07384977B2
来源说明: uspto-grants-2008_06

反应 SMILES

C(N(CC(O)=O)CCN(CC(O)=O)CC(O)=O)CN(CC(O)=O)CC(O)=O.[CH3:28][C:29]1[C@@H:46]([O:47][C:48]([C@H:50]([OH:67])[C@@H:51]([NH:58][C:59]([C:61]2[CH:62]=[CH:63][CH:64]=[CH:65][CH:66]=2)=[O:60])[C:52]2[CH:53]=[CH:54][CH:55]=[CH:56][CH:57]=2)=[O:49])[CH2:45][C@:41]2([OH:68])[C:42]([CH3:44])([CH3:43])[C:30]=1[C@@H:31]([O:86][C:87]([CH3:89])=[O:88])[C:32]([C@@:34]1([CH3:85])[C@H:39]([C@@H:40]2[O:69][C:70]([C:72]2[CH:73]=[CH:74][CH:75]=[CH:76][CH:77]=2)=[O:71])[C@:38]2([O:80][C:81]([CH3:83])=[O:82])[CH2:78][O:79][C@@H:37]2[CH2:36][C@@H:35]1[OH:84])=[O:33].C([O-])(O)=O.[Na+].O>C(O)C>[CH3:28][C:29]1[C@@H:46]([O:47][C:48]([C@H:50]([OH:67])[C@@H:51]([NH:58][C:59]([C:61]2[CH:66]=[CH:65][CH:64]=[CH:63][CH:62]=2)=[O:60])[C:52]2[CH:53]=[CH:54][CH:55]=[CH:56][CH:57]=2)=[O:49])[CH2:45][C@:41]2([OH:68])[C:42]([CH3:43])([CH3:44])[C:30]=1[C@@H:31]([O:86][C:87]([CH3:89])=[O:88])[C:32]([C@@:34]1([CH3:85])[C@H:39]([C@@H:40]2[O:69][C:70]([C:72]2[CH:77]=[CH:76][CH:75]=[CH:74][CH:73]=2)=[O:71])[C@:38]2([O:80][C:81]([CH3:83])=[O:82])[CH2:78][O:79][C@@H:37]2[CH2:36][C@@H:35]1[OH:84])=[O:33]