HRID187612

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID3406

4-Methylpyrazole

C4H6N2

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID24350

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

CuI

HCID551074

N,N'-Dimethyl-1,2-cyclohexanediamine

C8H18N2

HCID66742671

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-n2cc(C)cn2)c(C(O)C(F)(F)F)c1

HCID66743424

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2f018c2ed1c45e8910b852b30084393
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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