HRID469266

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOC(=O)CC[C@H](NC(=O)c1ccc(CCc2c[nH]c3nc(N)[nH]c(=O)c23)cc1)C(=O)OCC.Cc1ccc(S(=O)(=O)O)cc1

HCID135741210

未命名化合物

结构：Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c[nH]c2[nH]1.O.O.O.O.O.O.O.[Na+].[Na+]

HCID178508846

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1

HCID178508842

未命名化合物

PROCEDURE

实验过程

U.S. Pat. No. 7,138,521 discloses crystalline pemetrexed disodium heptahydrate. This heptahydrate form is prepared from N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]L-glutamic acid diethylester p-toluenesulfonic acid salt, which is saponified at a pH of between 2.5 to 3.5 to give N-[4-[2(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid (“pemetrexed diacid”), of the following Formula II:

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6631f91dcc104b3798bf86a54cf99a5b
来源数据集: uspto-grants-2014_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08629152B2
来源说明: uspto-grants-2014_01

反应 SMILES

[CH:1]1[C:6]([CH2:7][CH2:8][C:9]2[C:13]3[C:14]([N:16]=[C:17]([NH2:19])[NH:18][C:12]=3[NH:11][CH:10]=2)=[O:15])=[CH:5][CH:4]=[C:3]([C:20]([NH:22][C@H:23]([C:29]([O-:31])=[O:30])[CH2:24][CH2:25][C:26]([O-:28])=[O:27])=[O:21])[CH:2]=1.O.O.O.O.O.O.O.[Na+].[Na+].C1(C)C=CC(S(O)(=O)=O)=CC=1.C(OC(=O)[C@H](CCC(OCC)=O)NC(=O)C1C=CC(CCC2C3C(=O)NC(N)=NC=3NC=2)=CC=1)C>>[NH2:19][C:17]1[NH:18][C:12]2[NH:11][CH:10]=[C:9]([CH2:8][CH2:7][C:6]3[CH:5]=[CH:4][C:3]([C:20]([NH:22][C@H:23]([C:29]([OH:31])=[O:30])[CH2:24][CH2:25][C:26]([OH:28])=[O:27])=[O:21])=[CH:2][CH:1]=3)[C:13]=2[C:14](=[O:15])[N:16]=1