HRID673557

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-

HCID6453965

Benzaldehyde, 3-(2-hydroxyethoxy)-

C9H10O3

HCID22048350

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(C#N)cnc(C(=O)c3cccc(OCCO)c3)c2cc1OC

HCID69551688

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a7ffd8fb76ac41d7ba35a8bdefb1da18
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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.[CH2:45]([Cl:46])[Cl:47].[CH3:33][n:34]1[cH:35][n+:36]([CH3:37])[cH:38][cH:39]1.[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[H-:1].[I-:32].[Na+:2].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44].[OH2:54].[OH:20][CH2:21][CH2:22][O:23][c:24]1[cH:25][c:26]([CH:27]=[O:28])[cH:29][cH:30][cH:31]1>>[c:4]1([C:27]([c:26]2[cH:25][c:24]([O:23][CH2:22][CH2:21][OH:20])[cH:31][cH:30][cH:29]2)=[O:28])[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