HRID98838

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID9605

p-Fluoroiodobenzene

C6H4FI

HCID24350

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

CuI

HCID551074

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

C8H18N2

HCID59625843

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc2c(F)cn(-c3ccc(F)cc3)c2c1

HCID59625701

Methyl 3-fluoro-1-(4-fluorophenyl)-1H-indole-6-carboxylate

C16H11F2NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea210093a2bf40abbc500cdda5fc3302
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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