HRID821761

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID713

Formamide

CH3NO

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(N3CCCCC3=O)cc1)C2=O

HCID22240488

Ethyl 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate

C27H28N4O5

PRODUCTS

生成物

结构：COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N4CCCCC4=O)cc2)CC3)cc1

HCID10182969

Apixaban

C25H25N5O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48c567ee39fb4e7da7e31b6eed9d1952
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:1]([O:3][C:4](=[O:2])[c:6]1[n:7][n:8](-[c:29]2[cH:30][cH:31][c:32]([O:35][CH3:36])[cH:33][cH:34]2)[c:9]2[c:14]1[CH2:13][CH2:12][N:11]([c:15]1[cH:16][cH:17][c:18]([N:21]3[C:22](=[O:27])[CH2:23][CH2:24][CH2:25][CH2:26]3)[cH:19][cH:20]1)[C:10]2=[O:28])[CH3:5].[CH3:46][OH:47].[CH:37](=[O:38])[NH2:39].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:40]>>[O:3]=[C:4]([c:6]1[n:7][n:8](-[c:29]2[cH:30][cH:31][c:32]([O:35][CH3:36])[cH:33][cH:34]2)[c:9]2[c:14]1[CH2:13][CH2:12][N:11]([c:15]1[cH:16][cH:17][c:18]([N:21]3[C:22](=[O:27])[CH2:23][CH2:24][CH2:25][CH2:26]3)[cH:19][cH:20]1)[C:10]2=[O:28])[NH2:39]