HRID292376

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID557672

8-Oxabicyclo[3.2.1]oct-6-en-3-one

C7H8O2

结构：CCCn1c(=O)c2[nH]c(C3CC4CCC(C3)C4(C)O)nc2n(CCC)c1=O

HCID18173101

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCCn1c(=O)c2nc(C3(O)CC4C=CC(C3)O4)[nH]c2n(CCC)c1=O

HCID178456493

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a89ad8d41d8644ed9e9c0a84f5eec82f
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

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