HRID678030

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID9605

p-Fluoroiodobenzene

C6H4FI

HCID19660

Carbonate

CO3-2

HCID24350

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

CuI

结构：O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2[nH]ncc12

HCID58138854

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1cccc(C(F)(F)F)c1)c1cccc2c1cnn2-c1ccc(F)cc1

HCID58138826

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f084be129af14e41b31a3d1a37a19bc8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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