HRID678807

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID8070

N,N'-Dimethylethane-1,2-diamine

C4H12N2

HCID24350

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

CuI

HCID31275

1,4-Dioxane

C4H8O2

反应SMILES：NC1=NC(c2cc(Br)ccc2F)(C(F)F)COC1

HCID66665549

未命名化合物

HCID66665935

5-Cyano-3-methyl-2-pyridinecarboxamide

C8H7N3O

PRODUCTS

产物

反应SMILES：Cc1cc(C#N)cnc1C(=O)Nc1ccc(F)c(C2(C(F)F)COCC(N)=N2)c1

HCID66666028

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-20452e07c0c54ff596195e321867e5ff
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

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