HRID1232186

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID24350

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

CuI

结构：C=CCC1(c2ccc(F)cc2)CCN(C(C)c2ccc(Br)cc2)C(=O)O1

HCID68723923

未命名化合物

HCID178506239

未命名化合物

PRODUCTS

生成物

结构：C=CCC1(c2ccc(F)cc2)CCN(C(C)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)C(=O)O1

HCID91464100

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f7405c38232460ea855d86aa4229563
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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