HRID2327219

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6977

1,4-Dichloro-2-nitrobenzene

C6H3Cl2NO2

HCID8028

Tetrahydrofuran

C4H8O

HCID5462222

Potassium

结构：CN(C)CCCC(O)(c1ccc(F)cc1)c1ccc(C#N)cc1CO

HCID10132164

4-[4-(Dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile

C20H23FN2O2

HCID12476378

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CN(C)CCCC(O)(c1ccc(F)cc1)c1ccc(C#N)cc1COc1ccc(Cl)cc1[N+](=O)[O-]

HCID11612980

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67565116f7f24a8a87b97c5ae714c3fe
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

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