HRID282297

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID312

Chloride

Cl-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID1038

Hydrogen ion

H+

HCID4913

Procainamide

C13H21N3O

HCID135454002

3-(6-oxo-3,6-dihydro-9h-purin-9-yl)propanoic acid

C8H8N4O3

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCN(CC)CCNC(=O)c1ccc(NC(=O)CCn2cnc3c(=O)[nH]cnc32)cc1

HCID136030540

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5aa5af2b66845da9b592873a4c56eb2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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