HRID122722

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID78747

2-Aminopyrazine

C4H5N3

结构：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)O)cc1C#N

HCID12069499

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2cnccn2)cc1C#N

HCID22315180

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba0bd299d9ab4954bdada7620d6aa8fc
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:1](#[N:2])[c:3]1[cH:4][c:5]([CH:13]([C:14](=[O:15])[OH:16])[CH2:17][CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:6][cH:7][c:8]1[S:9](=[O:10])(=[O:11])[CH3:12].[CH2:44]([Cl:45])[Cl:46].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cl:23][C:24]([C:25]([Cl:26])=[O:27])=[O:28].[ClH:43].[NH2:29][c:30]1[n:31][cH:32][cH:33][n:34][cH:35]1.[OH2:52]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH:13]([C:14](=[O:15])[NH:29][c:30]2[n:31][cH:32][cH:33][n:34][cH:35]2)[CH2:17][CH:18]2[CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:6][cH:7][c:8]1[S:9](=[O:10])(=[O:11])[CH3:12]