HRID120243

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID24385

未命名化合物

HCID601234

3-(Dibutylamino)phenol

C14H23NO

HCID1550768

未命名化合物

PRODUCTS

产物

HCID59788841

4-[4-(Dibutylamino)-2-hydroxyphenyl]naphthalene-1,2-dione

C24H27NO3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-520f6caabc044f29bfe81cafbace7c5e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[C:1]1(=[O:16])[C:2](=[O:15])[CH:3]=[C:4]([S:11]([O-:12])(=[O:13])=[O:14])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21.[CH2:18]([CH2:19][CH2:20][CH3:21])[N:22]([c:23]1[cH:24][c:25]([OH:29])[cH:26][cH:27][cH:28]1)[CH2:30][CH2:31][CH2:32][CH3:33].[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[Na+:17].[Ni:40]([Cl:41])[Cl:42].[OH2:34]>>[C:1]1(=[O:16])[C:2](=[O:15])[CH:3]=[C:4]([c:26]2[c:25]([OH:29])[cH:24][c:23]([N:22]([CH2:18][CH2:19][CH2:20][CH3:21])[CH2:30][CH2:31][CH2:32][CH3:33])[cH:28][cH:27]2)[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]21