HRID159069

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID24350

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

CuI

HCID2724516

1-Bromo-3-fluoro-4-iodobenzene

C6H3BrFI

结构：CC(C)(C)OC(=O)N1CCC(Oc2cccc3[nH]ccc23)CC1

HCID49759115

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(Oc2cccc3c2ccn3-c2ccc(Br)cc2F)CC1

HCID68847786

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-721bd95abc8e4efd91bf8f6cd1e74b75
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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