HRID668934

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID66756524

3-(2-Methoxyethoxy)-2-methyl-4-(methylsulfonyl)benzoic acid

C12H16O6S

HCID178481816

未命名化合物

PRODUCTS

生成物

结构：COCCOc1c(S(C)(=O)=O)ccc(C(=O)c2cnn(C)c2O)c1C

HCID178496176

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9293c80c52aa49e48e2e8f5f5d634881
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

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