HRID2138545

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID317638

Ethyl 4-oxocyclohexanecarboxylate

C9H14O3

HCID11808964

6-Bromo-1-cyclohexyl-3-ethyl-1H-indazole

C15H19BrN2

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CCC(O)(c2ccc3c(CC)nn(C4CCCCC4)c3c2)CC1

HCID11025740

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1b170ca7a46453699ada2a1e787c832
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([CH2:17][CH3:18])[n:7][n:8]([CH:11]3[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[c:9]2[cH:10]1.[CH2:24]([Li:25])[CH2:26][CH2:27][CH3:28].[CH2:29]([CH3:30])[O:31][C:32](=[O:33])[CH:34]1[CH2:35][CH2:36][C:37](=[O:40])[CH2:38][CH2:39]1.[CH3:42][c:43]1[cH:44][cH:45][cH:46][cH:47][cH:48]1.[ClH:41].[O:19]1[CH2:20][CH2:21][CH2:22][CH2:23]1>>[c:2]1([C:37]2([OH:40])[CH2:36][CH2:35][CH:34]([C:32]([O:31][CH2:29][CH3:30])=[O:33])[CH2:39][CH2:38]2)[cH:3][cH:4][c:5]2[c:6]([CH2:17][CH3:18])[n:7][n:8]([CH:11]3[CH2:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[c:9]2[cH:10]1