HRID91628

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID946

Nitrite ion

NO2-

HCID962

Water

H2O

HCID1038

Hydrogen ion

H+

HCID26255

Tetrafluoroborate

BF4-

HCID105144

Palladium(2+)

Pd+2

HCID286547

2-(4-methylpiperazin-1-yl)aniline

C11H17N3

HCID13411358

N-(3,4-Dichlorophenyl)prop-2-enamide

C9H7Cl2NO

PRODUCTS

生成物

结构：CN1CCN(c2ccccc2C=CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1

HCID70046281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-693a28b29d8a4deca55bb7d1a9a80b9e
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

[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[c:9]([NH2:10])[cH:11][cH:12][cH:13][cH:14]2)[CH2:6][CH2:7]1.[CH3:39][OH:40].[Cl:25][c:26]1[cH:27][c:28]([NH:33][C:34]([CH:35]=[CH2:36])=[O:37])[cH:29][cH:30][c:31]1[Cl:32].[F:16][B-:17]([F:18])([F:19])[F:20].[H+:15].[N:21]([O-:22])=[O:23].[Na+:24].[O-:42][C:43]([CH3:44])=[O:45].[O-:46][C:47]([CH3:48])=[O:49].[OH2:38].[Pd+2:41]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:8]2[c:9]([CH:36]=[CH:35][C:34]([NH:33][c:28]3[cH:27][c:26]([Cl:25])[c:31]([Cl:32])[cH:30][cH:29]3)=[O:37])[cH:11][cH:12][cH:13][cH:14]2)[CH2:6][CH2:7]1