HRID120825

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID3283

Diethyl Ether

C4H10O

HCID9550

Diazomethane

CH2N2

HCID104823

Urea, (nitrosomethyl)-

C2H5N3O2

结构：CCCCCC(C=CC1C(O)C=CC1CC=CCCCC(=O)O)OC(C)=O

HCID178442693

未命名化合物

PRODUCTS

生成物

结构：CCCCCC(C=CC1C(O)C=CC1CC=CCCCC(=O)OC)OC(C)=O

HCID178442692

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-64bdfc9a811748b28ab99d2b7b454aa6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[O:4][CH:5]([CH:6]=[CH:7][CH:8]1[CH:9]([OH:22])[CH:10]=[CH:11][CH:12]1[CH2:13][CH:14]=[CH:15][CH2:16][CH2:17][CH2:18][C:19](=[O:20])[OH:21])[CH2:23][CH2:24][CH2:25][CH2:26][CH3:27].[CH3:40][C:41](=[O:42])[OH:43].[CH3:44][CH2:45][O:46][CH2:47][CH3:48].[K+:39].[N+:28](=[N-:29])=[CH2:30].[N:31]([CH2:32][NH:33][C:34]([NH2:35])=[O:36])=[O:37].[OH-:38]>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]([CH:6]=[CH:7][CH:8]1[CH:9]([OH:22])[CH:10]=[CH:11][CH:12]1[CH2:13][CH:14]=[CH:15][CH2:16][CH2:17][CH2:18][C:19](=[O:20])[O:21][CH3:30])[CH2:23][CH2:24][CH2:25][CH2:26][CH3:27]