HRID300989

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID14025440

N-(Prop-2-yn-1-yl)methanesulfonamide

C4H7NO2S

结构：COc1cc[nH]c1C=C1C(=O)Nc2ccc(F)c(I)c21

HCID53974358

未命名化合物

PRODUCTS

生成物

结构：COc1cc[nH]c1C=C1C(=O)Nc2ccc(F)c(C#CCNS(C)(=O)=O)c21

HCID54329538

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb11e76ba47d4176820d88364e373eb9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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