HRID1554838

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID21897256

未命名化合物

结构：Cc1cc(C(CC2CCCC2)C(=O)Nc2cnc(C#CC(C)(C)O)cn2)ccc1S(C)(=O)=O

HCID67482494

未命名化合物

PRODUCTS

生成物

结构：C=Cc1cnc(NC(=O)C(CC2CCCC2)c2ccc(S(C)(=O)=O)c(C)c2)cn1

HCID67482636

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60f33f678f064f42b986acfbd7464c2d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:55]([Cl:56])[Cl:57].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[NH:10][c:11]2[n:12][cH:13][c:14]([C:17]#[C:18][C:19]([OH:20])([CH3:21])[CH3:22])[n:15][cH:16]2)[c:23]2[cH:24][c:25]([CH3:33])[c:26]([S:29](=[O:30])(=[O:31])[CH3:32])[cH:27][cH:28]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl:34][C:35]([C:36]([Cl:37])=[O:38])=[O:39].[NH2:40][c:41]1[cH:42][n:43][c:44]([CH:45]=[CH2:46])[cH:47][n:48]1.[cH:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[NH:10][c:11]2[n:12][cH:13][c:14]([CH:17]=[CH2:18])[n:15][cH:16]2)[c:23]2[cH:24][c:25]([CH3:33])[c:26]([S:29](=[O:30])(=[O:31])[CH3:32])[cH:27][cH:28]2)[CH2:2][CH2:3][CH2:4][CH2:5]1