HRID1134402

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID83717

Copper iodide (CuI2)

CuI2

HCID551074

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

C8H18N2

HCID2727899

ethyl 5-fluoro-1H-indole-2-carboxylate

C11H10FNO2

HCID14975195

2-Bromo-4,6-dimethylpyridine

C7H8BrN

PRODUCTS

生成物

结构：CCOC(=O)c1cc2cc(F)ccc2n1-c1cc(C)cc(C)n1

HCID66845370

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-094ba9feeb4b49d3950c51b9a249f20f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:16][c:17]1[n:18][c:19]([CH3:24])[cH:20][c:21]([CH3:23])[cH:22]1.[CH3:33][NH:34][CH:35]1[CH2:36][CH2:37][CH2:38][CH2:39][CH:40]1[NH:41][CH3:42].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[CH3:52][C:53](=[O:54])[OH:55].[CH3:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[Cu:43]([I:44])[I:45].[F:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[nH:7][c:8]2[cH:9][cH:10]1.[K+:30].[K+:31].[K+:32].[OH2:56].[P:25]([O-:26])([O-:27])([O-:28])=[O:29]>>[F:1][c:2]1[cH:3][c:4]2[cH:5][c:6]([C:11](=[O:12])[O:13][CH2:14][CH3:15])[n:7](-[c:17]3[n:18][c:19]([CH3:24])[cH:20][c:21]([CH3:23])[cH:22]3)[c:8]2[cH:9][cH:10]1