HRID1239189

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID7854

Propionitrile

C3H5N

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID10514345

未命名化合物

HCID14987933

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

C12H17N3O2

HCID58324475

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)NC(=O)C3CCCCN43)CC2)nc1

HCID76760530

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6cd39d9ac8384b119ebf5bdd4235cfb9
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

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