HRID678996

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID12816873

1,3-Dimethyl-6-(piperazin-1-yl)pyrimidine-2,4(1H,3H)-dione

C10H16N4O2

结构：CS(=O)(=O)Nc1ccc(OCCCCl)c([N+](=O)[O-])c1

HCID20061113

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cn1c(N2CCN(CCCOc3ccc(NS(C)(=O)=O)cc3[N+](=O)[O-])CC2)cc(=O)n(C)c1=O

HCID20061224

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65a6b34896f84b3bb46472a9f196ebc2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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