HRID2321191

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID75810

Methylimidazoleacetic acid

C6H8N2O2

结构：C#Cc1ccc(C(=O)NC(CCSC)C(=O)OC)c(-c2ccccc2)c1

HCID18361292

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CCSC)NC(=O)c1ccc(C#CC(=O)Cc2cn(C)cn2)cc1-c1ccccc1

HCID18361049

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b09f129ace244b95a2a7487bd95302b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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