HRID701300

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(OS(=O)(=O)C(F)(F)F)=CCC3(C)C)cc1

HCID12017638

Ethyl 4-({5,5-dimethyl-8-[(trifluoromethanesulfonyl)oxy]-5,6-dihydronaphthalen-2-yl}ethynyl)benzoate

C24H21F3O5S

结构：CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C(C)(C)C)=CCC3(C)C)cc1

HCID18314564

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)=CCC3(C)C)cc1

HCID18314561

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0c9f78452b44454af72648ca40800f0
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

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