HRID663842

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID120273

N-Iodosuccinimide

C4H4INO2

结构：COC(=O)c1cc(C(C)=O)c(F)c(F)c1Nc1ccccc1F

HCID59519431

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(C(C)=O)c(F)c(F)c1Nc1ccc(I)cc1F

HCID59519381

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c41a22ca1e874726b567804fb59119f9
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:1]([CH3:2])(=[O:3])[c:4]1[c:5]([F:23])[c:6]([F:22])[c:7]([NH:14][c:15]2[c:16]([F:21])[cH:17][cH:18][cH:19][cH:20]2)[c:8]([C:9](=[O:10])[O:11][CH3:12])[cH:13]1.[CH3:44][CH2:45][O:46][C:47]([CH3:48])=[O:49].[F:32][C:33]([F:34])([F:35])[C:36]([OH:37])=[O:38].[O:24]=[C:25]1[N:26]([I:31])[C:27](=[O:28])[CH2:29][CH2:30]1.[O:39]=[CH:40][N:41]([CH3:42])[CH3:43]>>[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([F:23])[c:6]([F:22])[c:7]([NH:14][c:15]2[c:16]([F:21])[cH:17][c:18]([I:31])[cH:19][cH:20]2)[c:8]([C:9](=[O:10])[O:11][CH3:12])[cH:13]1