HRID205889

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID11776

Triphenylphosphine

C18H15P

HCID31398

N-Chlorosuccinimide

C4H4ClNO2

HCID11737447

未命名化合物

HCID45084656

5-Methyl-1,3-dioxane-2-carboxylic acid

C6H10O4

PRODUCTS

生成物

结构：COC(=O)c1sc(-c2ccccc2)cc1N(C(=O)C1OCC(C)CO1)C(C)C

HCID59752364

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c76b5c771d84073bf14c286d2004da3
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

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