HRID1542758

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID2796185

未命名化合物

结构：CC(C)(C)N1C(=O)C(Cl)=C(c2ccccc2)S1(=O)=O

HCID67242627

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)N1C(=O)C(NC2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)=C(c2ccccc2)S1(=O)=O

HCID11656790

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d46c660e3b774dbab52d63d652ea628f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:18])(=[O:19])[C:7]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[C:8]([Cl:11])[C:9]1=[O:10].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[Cl:20][c:21]1[c:22]([N:31]2[CH2:32][CH2:33][CH:34]([NH2:37])[CH2:35][CH2:36]2)[n:23][cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1.[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:18])(=[O:19])[C:7]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[C:8]([NH:37][CH:34]2[CH2:33][CH2:32][N:31]([c:22]3[c:21]([Cl:20])[cH:26][c:25]([C:27]([F:28])([F:29])[F:30])[cH:24][n:23]3)[CH2:36][CH2:35]2)[C:9]1=[O:10]