HRID301410

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID13139

Diethyl phosphorochloridate

C4H10ClO3P

HCID82668

4-Amino-2,6-dimethylphenol

C8H11NO

HCID114578

3-(2,5-Dimethoxyphenyl)-2-propenoic acid

C11H12O4

PRODUCTS

生成物

结构：COc1ccc(OC)c(C=CC(=O)Nc2cc(C)c(O)c(C)c2)c1

HCID54303392

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a196364a13d744acb540b057bf86825f
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:35](=[O:36])([O-:37])[OH:38].[CH2:16]([O:17][P:18]([Cl:19])(=[O:20])[O:21][CH2:22][CH3:23])[CH3:24].[CH3:1][O:2][c:3]1[c:4]([CH:5]=[CH:6][C:7](=[O:8])[OH:9])[cH:10][c:11]([O:14][CH3:15])[cH:12][cH:13]1.[CH3:40][C:41]#[N:42].[CH3:43][CH2:44][N:45]([CH2:46][CH3:47])[CH2:48][CH3:49].[NH2:25][c:26]1[cH:27][c:28]([CH3:34])[c:29]([OH:33])[c:30]([CH3:32])[cH:31]1.[Na+:39]>>[CH3:1][O:2][c:3]1[c:4]([CH:5]=[CH:6][C:7](=[O:9])[NH:25][c:26]2[cH:27][c:28]([CH3:34])[c:29]([OH:33])[c:30]([CH3:32])[cH:31]2)[cH:10][c:11]([O:14][CH3:15])[cH:12][cH:13]1