HRID86854

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(c2ccc(C)cc2)=CCC3(C)C)cc1

HCID11796412

AGN 193109 Ethyl Ester

C30H28O2

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

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(c2ccc(CC)cc2)=CCC3(C)C)cc1

HCID15870947

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc0d3ad67bbe47069b80a8b632785c97
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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