HRID191088

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

HCID11379

2-Quinolinamine

C9H8N2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

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)Nc2ccc3ccccc3n2)cc1C#N

HCID10204088

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce4e6bf4298d4ffa88ec2b96664a7a25
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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].[CH2:48]([Cl:49])[Cl:50].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[Cl:23][C:24]([C:25]([Cl:26])=[O:27])=[O:28].[ClH:47].[NH2:29][c:30]1[n:31][c:32]2[cH:33][cH:34][cH:35][cH:36][c:37]2[cH:38][cH:39]1.[OH2:56]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([CH:13]([C:14](=[O:15])[NH:29][c:30]2[n:31][c:32]3[cH:33][cH:34][cH:35][cH:36][c:37]3[cH:38][cH:39]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]