HRID157607

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID10197934

1-(2-Pyridinyl)-4-piperidinamine

C10H15N3

HCID71439599

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：C#CC1CCC(C#N)N1C(=O)CNC1CCN(c2ccccn2)CC1

HCID178436427

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a6a01f0f446b464e96f03456b1869a47
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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