HRID1146771

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

结构：CC12C=CC(=O)C=C1CCC1C2CCC2(C)C(=O)CCC12

HCID2192

未命名化合物

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID31404

Butylated hydroxytoluene

C15H24O

HCID16682925

Aluminum, trimethyl-

C3H9Al

PRODUCTS

生成物

结构：CC1=CC(=O)C=C2CCC3C4CCC(=O)C4(C)CCC3C12C

HCID13371250

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08b4ef6c234a4455b0d060260e562a6b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:21][C:22]12[C:23](=[O:41])[CH2:24][CH2:25][CH:26]1[CH:27]1[CH2:28][CH2:29][C:30]3=[CH:31][C:32](=[O:40])[CH:33]=[CH:34][C:35]3([CH3:36])[CH:37]1[CH2:38][CH2:39]2.[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[CH3:5][c:6]1[cH:7][c:8]([C:9]([CH3:10])([CH3:11])[CH3:12])[c:13]([OH:14])[c:15]([C:16]([CH3:17])([CH3:18])[CH3:19])[cH:20]1.[OH2:42]>>[CH3:5][C:34]1=[CH:33][C:32](=[O:40])[CH:31]=[C:30]2[CH2:29][CH2:28][CH:27]3[CH:26]4[C:22]([CH3:21])([C:23](=[O:41])[CH2:24][CH2:25]4)[CH2:39][CH2:38][CH:37]3[C:35]21[CH3:36]