HRID161921

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID11791243

Ethyl 2-ethoxy-3-(4-hydroxyphenyl)propanoate

C13H18O4

结构：CC(C)(C)OC(=O)Nc1ccc(CCCS(=O)(=O)[O-])cc1

HCID22988767

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(Cc1ccc(OCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1)OCC

HCID22988408

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e8e3ead721246a0a62091c5ee24cdfe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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