HRID1114889

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6342

Acetonitrile

C2H3N

HCID19220

1-Benzyl-4-piperidone

C12H15NO

HCID30165

Iodide ion

I-

HCID31215

Triethyl phosphite

C6H15O3P

HCID458363

4-(Chloromethyl)benzamide

C8H8ClNO

HCID4574913

未命名化合物

PRODUCTS

生成物

结构：NC(=O)c1ccc(C=C2CCN(Cc3ccccc3)CC2)cc1

HCID9922574

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a303792ff79a4ba7b878598a1b071353
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

[CH2:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)[N:31]1[CH2:32][CH2:33][C:34](=[O:37])[CH2:35][CH2:36]1.[CH3:38][C:39]([CH3:40])([O-:41])[CH3:42].[CH3:45][N:46]([CH3:47])[CH:48]=[O:49].[CH3:50][C:51]#[N:52].[Cl:1][CH2:2][c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH2:9])[cH:10][cH:11]1.[I-:23].[K+:22].[K+:43].[OH2:44].[P:12]([O:13][CH2:14][CH3:15])([O:16][CH2:17][CH3:18])[O:19][CH2:20][CH3:21]>>[CH:2]([c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH2:9])[cH:10][cH:11]1)=[C:34]1[CH2:33][CH2:32][N:31]([CH2:24][c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[CH2:36][CH2:35]1