HRID89133

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID19660

Carbonate

CO3-2

结构：CON(C)C(=O)[SH](C)c1cccc(NC(=O)c2ccc(OC(C)=O)c(C(C)(C)C)c2)c1

HCID178502850

未命名化合物

PRODUCTS

生成物

结构：CON(C)C(=O)[SH](C)c1cccc(NC(=O)c2ccc(O)c(C(C)(C)C)c2)c1

HCID178502849

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-468f614de47f4f0a9105209c15e7be25
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](=[O:2])([CH3:3])[O:4][c:5]1[c:6]([C:28]([CH3:29])([CH3:30])[CH3:31])[cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[cH:13][c:14]([SH:18]([CH3:19])[C:20]([N:21]([CH3:22])[O:23][CH3:24])=[O:25])[cH:15][cH:16][cH:17]2)[cH:26][cH:27]1.[C:32](=[O:33])([O-:34])[O-:35].[CH3:38][CH2:39][O:40][CH2:41][CH3:42].[CH3:44][C:45]([CH3:46])=[O:47].[CH3:48][OH:49].[K+:36].[K+:37].[OH2:43]>>[OH:4][c:5]1[c:6]([C:28]([CH3:29])([CH3:30])[CH3:31])[cH:7][c:8]([C:9](=[O:10])[NH:11][c:12]2[cH:13][c:14]([SH:18]([CH3:19])[C:20]([N:21]([CH3:22])[O:23][CH3:24])=[O:25])[cH:15][cH:16][cH:17]2)[cH:26][cH:27]1