HRID2310143

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID53441809

未命名化合物

HCID59267927

未命名化合物

PRODUCTS

生成物

结构：COCC(C)(C)c1cc(NC(=O)C(C)(C)Sc2ccc(S(C)(=O)=O)cc2F)on1

HCID59267890

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-59b40a8c950244209b40f652743f3753
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

[CH3:26][O:27][CH2:28][C:29]([CH3:30])([CH3:31])[c:32]1[n:33][o:34][c:35]([NH2:37])[cH:36]1.[CH3:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1.[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl-:19].[Cl:20][C:21]([C:22]([Cl:23])=[O:24])=[O:25].[Cl:47][CH2:48][Cl:49].[F:1][c:2]1[c:3]([S:12][C:13]([C:14](=[O:15])[OH:16])([CH3:17])[CH3:18])[cH:4][cH:5][c:6]([S:8](=[O:9])(=[O:10])[CH3:11])[cH:7]1.[O:63]=[CH:64][N:65]([CH3:66])[CH3:67]>>[F:1][c:2]1[c:3]([S:12][C:13]([C:14](=[O:16])[NH:37][c:35]2[o:34][n:33][c:32]([C:29]([CH2:28][O:27][CH3:26])([CH3:30])[CH3:31])[cH:36]2)([CH3:17])[CH3:18])[cH:4][cH:5][c:6]([S:8](=[O:9])(=[O:10])[CH3:11])[cH:7]1