HRID1214585

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-

HCID962

Water

H2O

HCID8071

未命名化合物

HCID9550

Diazomethane

CH2N2

HCID104823

Urea, (nitrosomethyl)-

C2H5N3O2

结构：O=C(O)CCCCCCC1=C(C=Cc2ccccc2)C(O)CC1=NO

HCID73794979

未命名化合物

PRODUCTS

生成物

结构：COC(=O)CCCCCCC1=C(C=Cc2ccccc2)C(O)CC1=NO

HCID86733982

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca919c4f2be84bb9a7fdcc4ce6939254
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:43]([CH2:44][O:45][CH3:46])[O:47][CH3:48].[CH3:38][C:39](=[O:40])[OH:41].[K+:37].[N+:26](=[N-:27])=[CH2:28].[N:29]([CH2:30][NH:31][C:32]([NH2:33])=[O:34])=[O:35].[OH-:36].[OH2:42].[OH:1][CH:2]1[C:3]([CH:18]=[CH:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)=[C:4]([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][C:15](=[O:16])[OH:17])[C:5](=[N:7][OH:8])[CH2:6]1>>[OH:1][CH:2]1[C:3]([CH:18]=[CH:19][c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)=[C:4]([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][C:15](=[O:16])[O:17][CH3:28])[C:5](=[N:7][OH:8])[CH2:6]1