HRID2315281

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID10633047

未命名化合物

HCID14706449

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

C12H11F2N3O

PRODUCTS

生成物

结构：CC(n1ccn(-c2ccc(-n3cncn3)cc2)c1=O)C(O)(Cn1cncn1)c1ccc(F)cc1F

HCID483290

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d20310f65ebc4f2484604dca68597ff2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:36](=[O:37])([O-:38])[O-:39].[CH3:42][N:43]([CH3:44])[CH:45]=[O:46].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Cs+:40].[Cs+:41].[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.[OH2:53].[n:19]1(-[c:24]2[cH:25][cH:26][c:27](-[n:30]3[c:31](=[O:35])[nH:32][cH:33][cH:34]3)[cH:28][cH:29]2)[n:20][cH:21][n:22][cH:23]1>>[F:1][c:2]1[c:3]([C:9]([OH:10])([CH:11]([CH3:12])[n:32]2[c:31](=[O:35])[n:30](-[c:27]3[cH:26][cH:25][c:24](-[n:19]4[n:20][cH:21][n:22][cH:23]4)[cH:29][cH:28]3)[cH:34][cH:33]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