HRID1212878

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID3776

Isopropanol

C3H8O

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID30165

Iodide ion

I-

HCID12666393

N~1~-(4-Chlorophenyl)ethane-1,2-diamine

C8H11ClN2

反应SMILES：CC(C)(O)c1ccc2c(c1)C(=CCCBr)c1cccnc1CO2

HCID66685999

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(O)c1ccc2c(c1)C(=CCCNCCNc1ccc(Cl)cc1)c1cccnc1CO2

HCID66758267

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b70597c997274217a30ef23a8e180efe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

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