HRID98256

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID70248

2,2'-[Ethane-1,2-diylbis(oxy)]diethanamine

C6H16N2O2

结构：CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)Cl)c2)C1

HCID86672330

3-(6,8-Dichloro-1,2,3,4-tetrahydro-2-methyl-4-isoquinolinyl)benzenesulfonyl chloride

C16H14Cl3NO2S

PRODUCTS

生成物

结构：CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCN)c2)C1

HCID67458027

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-72fd26b7418347918ae5f2f93be62236
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

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