HRID2137049

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

反应SMILES：CS(=O)(=O)OCCCC#Cc1ccc(OC(F)(F)F)cc1

HCID11616756

4-Pentyn-1-ol, 5-[4-(trifluoromethoxy)phenyl]-, 1-methanesulfonate

C13H13F3O4S

反应SMILES：COC(=O)C(C)(C)Oc1cc(Cl)c(O)cc1Cl

HCID67402766

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)C(C)(C)Oc1cc(Cl)c(OCCCC#Cc2ccc(OC(F)(F)F)cc2)cc1Cl

HCID69460308

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e96159ab88334e859e883420b401f458
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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