HRID662324

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID16682930

Triethylaluminum

C6H15Al

结构：CC(=O)OC1CCC2C3CCC4CC(=O)C=CC4(C)C3CCC12C

HCID76473131

未命名化合物

HCID178418260

未命名化合物

PRODUCTS

生成物

结构：CCC1CC(=O)CC2CCC3C4CCC(OC(C)=O)C4(C)CCC3C12C

HCID178436862

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4cbfed707e38480c883a3cbb9bfbe683
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:8]([CH3:9])(=[O:10])[O:11][CH:12]1[C:13]2([CH3:14])[CH:15]([CH2:16][CH2:17]1)[CH:18]1[CH2:19][CH2:20][CH:21]3[CH2:22][C:23](=[O:31])[CH:24]=[CH:25][C:26]3([CH3:27])[CH:28]1[CH2:29][CH2:30]2.[CH2:1]([Al:2]([CH2:3][CH3:4])[CH2:6][CH3:7])[CH3:5].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Cu:32]([C:33]#[N:34])[C:35]#[N:36].[OH2:37]>>[CH2:6]([CH3:7])[CH:25]1[CH2:24][C:23](=[O:31])[CH2:22][CH:21]2[CH2:20][CH2:19][CH:18]3[CH:15]4[C:13]([CH3:14])([CH:12]([O:11][C:8]([CH3:9])=[O:10])[CH2:17][CH2:16]4)[CH2:30][CH2:29][CH:28]3[C:26]21[CH3:27]