HRID667024

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

HCID14272

3-Vinylpyridine

C7H7N

结构：COC(=O)C(CCSC)NC(=O)c1ccc(I)cc1-c1ccccc1

HCID23436165

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(CCSC)NC(=O)c1ccc(C=Cc2cccnc2)cc1-c1ccccc1

HCID178500602

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e6f3afbe92b6482eb25f9261320b7f4c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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