HRID118636

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID24350

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

CuI

HCID31275

1,4-Dioxane

C4H8O2

HCID1277653

4-BROMO-1-METHYL-1H-IMIDAZOLE

C4H5BrN2

HCID12447266

N~1~,N~1~-Dimethylcyclohexane-1,2-diamine

C8H18N2

HCID25098282

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)N(c2cn(C)cn2)CC1C(=O)NCc1ccc(F)c(F)c1Cl

HCID25094346

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ff2c843b26449ddb20965fff6a21a4e
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

[Br:21][c:22]1[n:23][cH:24][n:25]([CH3:27])[cH:26]1.[CH2:46]1[O:47][CH2:48][CH2:49][O:50][CH2:51]1.[CH3:36][N:37]([CH3:38])[CH:39]1[CH2:40][CH2:41][CH2:42][CH2:43][CH:44]1[NH2:45].[Cl:1][c:2]1[c:3]([CH2:10][NH:11][C:12](=[O:13])[CH:14]2[N:15]([CH3:20])[C:16](=[O:19])[NH:17][CH2:18]2)[cH:4][cH:5][c:6]([F:9])[c:7]1[F:8].[Cu:52][I:53].[K+:33].[K+:34].[K+:35].[P:28]([O-:29])([O-:30])([O-:31])=[O:32]>>[Cl:1][c:2]1[c:3]([CH2:10][NH:11][C:12](=[O:13])[CH:14]2[N:15]([CH3:20])[C:16](=[O:19])[N:17]([c:22]3[n:23][cH:24][n:25]([CH3:27])[cH:26]3)[CH2:18]2)[cH:4][cH:5][c:6]([F:9])[c:7]1[F:8]