HRID304065

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8037

N,N,N',N'-Tetramethylethylenediamine

C6H16N2

HCID88359

1-(Methoxymethyl)-1H-imidazole

C5H8N2O

HCID284759

(2,4-Dichlorophenyl)(4-fluorophenyl)methanone

C13H7Cl2FO

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：COCn1ccnc1C(O)(c1ccc(F)cc1)c1ccc(Cl)cc1Cl

HCID12433903

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a461512db20a4dd78ec756490e43bd57
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH3:14][N:15]([CH2:16][CH2:17][N:18]([CH3:19])[CH3:20])[CH3:21].[CH3:44][N:45]([CH3:46])[CH:47]=[O:48].[CH3:49][C:50](=[O:51])[CH3:52].[CH3:6][O:7][CH2:8][n:9]1[cH:10][n:11][cH:12][cH:13]1.[Cl:22][c:23]1[c:24]([C:25](=[O:26])[c:27]2[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[cH:34][cH:35][c:36]([Cl:38])[cH:37]1.[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH2:53]>>[CH3:6][O:7][CH2:8][n:9]1[c:10]([C:25]([c:24]2[c:23]([Cl:22])[cH:37][c:36]([Cl:38])[cH:35][cH:34]2)([OH:26])[c:27]2[cH:28][cH:29][c:30]([F:33])[cH:31][cH:32]2)[n:11][cH:12][cH:13]1