HRID99837

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID30165

Iodide ion

I-

HCID23081084

1-tert-Butylpiperazin-2-one

C8H16N2O

结构：CC1(CCOS(C)(=O)=O)Cn2cc([N+](=O)[O-])nc2O1

HCID23081092

未命名化合物

PRODUCTS

生成物

结构：CC1(CCN2CCN(C(C)(C)C)C(=O)C2)Cn2cc([N+](=O)[O-])nc2O1

HCID23081214

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-960bd95a66b7478b9d2748b05c1f87af
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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