HRID112749

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9737

2-Fluoroethanol

C2H5FO

结构：CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1C(=O)C=O

HCID21410843

未命名化合物

HCID178511842

未命名化合物

PRODUCTS

生成物

结构：CC1CC2C3CC(F)C4=CC(=O)C=CC4(C)C3C(O)CC2(C)C1C(=O)C(=O)O

HCID21959983

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27c8da0bba644221a446d1ce7a6a2f16
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

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