HRID1572532

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6340

Ethane, iodo-

C2H5I

HCID19660

Carbonate

CO3-2

结构：CC(C)(CC(O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F)c1cc(F)ccc1O

HCID16099240

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc(F)cc1C(C)(C)CC(O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F

HCID57809834

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17cdb2019bbc43318d087025053f07f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:34](=[O:35])([O-:36])[O-:37].[F:1][c:2]1[cH:3][cH:4][c:5]([OH:30])[c:6]([C:8]([CH2:9][C:10]([CH2:11][n:12]2[cH:13][cH:14][c:15](=[O:22])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]23)([C:23]([F:24])([F:25])[F:26])[OH:27])([CH3:28])[CH3:29])[cH:7]1.[I:31][CH2:32][CH3:33].[K+:38].[K+:39].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH2:45]>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:30][CH2:32][CH3:33])[c:6]([C:8]([CH2:9][C:10]([CH2:11][n:12]2[cH:13][cH:14][c:15](=[O:22])[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]23)([C:23]([F:24])([F:25])[F:26])[OH:27])([CH3:28])[CH3:29])[cH:7]1