HRID155076

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID947

Nitrogen

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

2 次

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID24290

未命名化合物

HCID82703

10-Chloro-9-anthraldehyde

C15H9ClO

HCID178418546

未命名化合物

PRODUCTS

生成物

HCID13319332

10-Formylanthracene-9-carbonitrile

C16H9NO

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-34346172c0ad4d6d8f51369d9717c4cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:71][N:72]1[CH2:73][CH2:74][CH2:75][C:76]1=[O:77].[Cl:3][c:4]1[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[c:11]([CH:18]=[O:19])[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12.[ClH:23].[Cu:20][C:21]#[N:22].[N:1]#[N:2].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70].[OH2:65].[Pd:24]([Cl:25])[Cl:26].[c:27]1([P:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:41][cH:42][cH:43][cH:44][cH:45]1.[c:46]1([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[cH:60][cH:61][cH:62][cH:63][cH:64]1>>[c:4]1([C:21]#[N:22])[c:5]2[cH:6][cH:7][cH:8][cH:9][c:10]2[c:11]([CH:18]=[O:19])[c:12]2[cH:13][cH:14][cH:15][cH:16][c:17]12