HRID1560985

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6163

Ethyl sulfate (Et2SO4)

C4H10O4S

HCID19660

Carbonate

CO3-2

结构：Cc1c(O)c2c(c(C)c1NC(=O)CC(C)(C)C)C(c1ccc(C(C)C)cc1)CO2

HCID23114033

未命名化合物

PRODUCTS

生成物

结构：CCOc1c(C)c(NC(=O)CC(C)(C)C)c(C)c2c1OCC2c1ccc(C(C)C)cc1

HCID23114253

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4da54fd6592f4d5e8f838499e3415a03
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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