HRID148369

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID271

Calcium ion

Ca+2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID14706449

1-((2-(2,4-Difluorophenyl)-3-methyl-2-oxiranyl)methyl)-1H-1,2,4-triazole

C12H11F2N3O

HCID66999642

未命名化合物

PRODUCTS

生成物

结构：CC(n1cc(C=Cc2ccc(C#N)cc2)cn1)C(O)(Cn1cncn1)c1ccc(F)cc1F

HCID178462541

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63e950206b8e4036b8433cc9637dea40
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

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