HRID2311822

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID104967

Cesium(1+)

Cs+

2 次

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

HCID21986458

Ethyl (4-hydroxy-2-methylphenoxy)acetate

C11H14O4

PRODUCTS

产物

反应SMILES：CCOC(=O)COc1ccc(OCCCC#Cc2ccc(OC(F)(F)F)cc2)cc1C

HCID69459172

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-29f7f875d507486bb29f02a692dc0160
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[C:39](=[O:40])([O-:41])[O-:42].[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:14])[cH:9][c:10]([OH:13])[cH:11][cH:12]1)=[O:15].[CH3:45][C:46]#[N:47].[Cs+:43].[Cs+:44].[F:16][C:17]([O:18][c:19]1[cH:20][cH:21][c:22]([C:25]#[C:26][CH2:27][CH2:28][CH2:29][O:30][S:31]([CH3:32])(=[O:33])=[O:34])[cH:23][cH:24]1)([F:35])[F:36].[I-:37].[Na+:38]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][O:6][c:7]1[c:8]([CH3:14])[cH:9][c:10]([O:13][CH2:29][CH2:28][CH2:27][C:26]#[C:25][c:22]2[cH:21][cH:20][c:19]([O:18][C:17]([F:16])([F:35])[F:36])[cH:24][cH:23]2)[cH:11][cH:12]1)=[O:15]