HRID291596

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID419223

4-Aminotetrahydropyran

C5H11NO

HCID68574469

未命名化合物

PRODUCTS

生成物

结构：CCCC(C)Oc1nc(N)c2nc(OC)n(CCCCNC3CCOCC3)c2n1

HCID178447005

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e740b8fcc4954ea3a6726d4ef56c0a66
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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