HRID306661

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

2 次

HCID1031

1-Propanol

C3H8O

HCID24247

Perchloric acid

HClO4

结构：CC(C)CCCC(C)C1CC(=O)C2=C3CCC4CC(OC(=O)c5ccccc5)CCC4(C)C3CCC21C

HCID178442664

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCCC(C)C1CC(=O)C2=C3CCC4CC(O)CCC4(C)C3CCC21C

HCID2738130

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef30da7614ed429d850bd7e4b1486708
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

[C:1](=[O:2])([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][CH:10]1[CH2:11][CH:12]2[CH2:13][CH2:14][C:15]3=[C:16]4[C:17](=[O:37])[CH2:18][CH:19]([CH:20]([CH2:21][CH2:22][CH2:23][CH:24]([CH3:25])[CH3:26])[CH3:27])[C:28]4([CH3:36])[CH2:29][CH2:30][CH:31]3[C:32]2([CH3:35])[CH2:33][CH2:34]1.[CH2:49]([OH:50])[CH2:51][CH3:52].[CH3:45][OH:46].[CH3:53][CH2:54][OH:55].[Cl+3:38]([OH:39])([O-:40])([O-:41])[O-:42].[K+:44].[Na+:48].[OH-:43].[OH-:47]>>[OH:9][CH:10]1[CH2:11][CH:12]2[CH2:13][CH2:14][C:15]3=[C:16]4[C:17](=[O:37])[CH2:18][CH:19]([CH:20]([CH2:21][CH2:22][CH2:23][CH:24]([CH3:25])[CH3:26])[CH3:27])[C:28]4([CH3:36])[CH2:29][CH2:30][CH:31]3[C:32]2([CH3:35])[CH2:33][CH2:34]1