HRID2319800

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID6497

Dimethyl sulfate

C2H6O4S

HCID19660

Carbonate

CO3-2

结构：COc1cc(O)c(C=O)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C

HCID22268375

未命名化合物

PRODUCTS

生成物

结构：COc1cc(OC)c(-c2cc3c(cc2C)C(C)(C)CCC3(C)C)cc1C=O

HCID22268354

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c38a962043f04134884c94ccbb58200c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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