HRID121116

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C(SC(C)(C)C)C1

HCID67232768

未命名化合物

PRODUCTS

生成物

结构：CN(C1CN(C(=O)OC(C)(C)C)CC1SC(C)(C)C)S(=O)(=O)c1ccc(Oc2ccccc2)cc1

HCID67233838

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4361587c902f421aaa0502b36c0e9819
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](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH2:9][CH:10]([NH:18][S:19](=[O:20])(=[O:21])[c:22]2[cH:23][cH:24][c:25]([O:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[cH:26][cH:27]2)[CH:11]([S:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:12]1.[CH3:35][I:36].[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47]>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH2:9][CH:10]([N:18]([S:19](=[O:20])(=[O:21])[c:22]2[cH:23][cH:24][c:25]([O:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[cH:26][cH:27]2)[CH3:37])[CH:11]([S:13][C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:12]1