HRID1122079

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID20335

1,3-Dimethyl-1H-imidazol-3-ium

C5H9N2+

HCID30165

Iodide ion

I-

HCID166653

Hydride

H-

HCID608052

4-Dimethylamino-1-naphthaldehyde

C13H13NO

HCID22048350

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(C#N)cnc(C(=O)c3ccc(N(C)C)c4ccccc34)c2cc1OC

HCID22170183

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-979635c244024b77b6898af96a7ba72c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:3][c:4]1[n:5][cH:6][c:7]([C:18]#[N:19])[c:8]2[cH:9][c:10]([O:16][CH3:17])[c:11]([O:14][CH3:15])[cH:12][c:13]12.[CH2:48]([Cl:49])[Cl:50].[CH3:20][N:21]([c:22]1[cH:23][cH:24][c:25]([CH:32]=[O:33])[c:26]2[cH:27][cH:28][cH:29][cH:30][c:31]12)[CH3:34].[CH3:36][n:37]1[cH:38][n+:39]([CH3:40])[cH:41][cH:42]1.[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[H-:1].[I-:35].[Na+:2].[O:43]=[CH:44][N:45]([CH3:46])[CH3:47].[OH2:57]>>[c:4]1([C:32]([c:25]2[cH:24][cH:23][c:22]([N:21]([CH3:20])[CH3:34])[c:31]3[c:26]2[cH:27][cH:28][cH:29][cH:30]3)=[O:33])[n:5][cH:6][c:7]([C:18]#[N:19])[c:8]2[cH:9][c:10]([O:16][CH3:17])[c:11]([O:14][CH3:15])[cH:12][c:13]12