HRID1543955

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID1923

8-Hydroxyquinoline

C9H7NO

HCID19660

Carbonate

CO3-2

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID12777795

4-(Trifluoromethyl)-1H-pyrazole

C4H3F3N2

结构：COC(=O)c1ccc(C(=Cc2ccc(Br)cc2)CC(C)C)cc1

HCID68157244

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(C(=Cc2ccc(-n3cc(C(F)(F)F)cn3)cc2)CC(C)C)cc1

HCID68156624

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a6a4af572a914328829be1e67c05e7c8
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

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