HRID818029

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID7854

Propionitrile

C3H5N

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID10514345

未命名化合物

HCID14987933

Ethyl 6-(piperazin-1-yl)pyridine-3-carboxylate

C12H17N3O2

HCID68784930

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)C3CCCN43)CC2)nc1

HCID68091291

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5cd0c1be6d2a4302bc4ec410c321b53d
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:44]([CH2:45][P+:46]([CH3:47])([CH3:48])[CH3:49])#[N:50].[C:51](#[N:52])[CH2:53][CH3:54].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[I-:43].[K+:55].[K+:56].[N:17]1([c:23]2[n:24][cH:25][c:26]([C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:32][cH:33]2)[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]1.[O-:57][C:58]([O-:59])=[O:60].[OH2:61].[OH:1][CH2:2][c:3]1[cH:4][c:5]2[c:10]([n:11][cH:12]1)[N:9]1[CH:8]([C:7](=[O:16])[NH:6]2)[CH2:15][CH2:14][CH2:13]1>>[CH2:2]([c:3]1[cH:4][c:5]2[c:10]([n:11][cH:12]1)[N:9]1[CH:8]([C:7](=[O:16])[NH:6]2)[CH2:15][CH2:14][CH2:13]1)[N:20]1[CH2:19][CH2:18][N:17]([c:23]2[n:24][cH:25][c:26]([C:27](=[O:28])[O:29][CH2:30][CH3:31])[cH:32][cH:33]2)[CH2:22][CH2:21]1