HRID1224830

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID53167

1-Methylpiperazine

C5H12N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：CCCc1nn(C)c2c(=O)[nH]c(-c3cc(C(=O)O)ccc3OCC)nc12

HCID135565085

4-Ethoxy-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)benzoic acid

C18H20N4O4

PRODUCTS

生成物

结构：CCCc1nn(C)c2c(=O)[nH]c(-c3cc(C(=O)N4CCN(C)CC4)ccc3OCC)nc12

HCID135430839

Desmethyl Carbodenafil

C23H30N6O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4df5db0819b419cbeaa623faf90b35a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][c:4]1[c:5](-[c:13]2[nH:14][c:15](=[O:26])[c:16]3[c:17]([n:18]2)[c:19]([CH2:23][CH2:24][CH3:25])[n:20][n:21]3[CH3:22])[cH:6][c:7]([C:8](=[O:9])[OH:10])[cH:11][cH:12]1.[CH3:27][N:28]1[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]1.[CH3:35][N:36]([CH3:37])[CH2:38][CH2:39][CH2:40][N:41]=[C:42]=[N:43][CH2:44][CH3:45].[Cl:56][CH2:57][Cl:58].[ClH:34].[OH:46][n:47]1[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[CH2:1]([CH3:2])[O:3][c:4]1[c:5](-[c:13]2[nH:14][c:15](=[O:26])[c:16]3[c:17]([n:18]2)[c:19]([CH2:23][CH2:24][CH3:25])[n:20][n:21]3[CH3:22])[cH:6][c:7]([C:8](=[O:9])[N:31]2[CH2:30][CH2:29][N:28]([CH3:27])[CH2:33][CH2:32]2)[cH:11][cH:12]1