HRID1558346

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID60984

Methyl bromoacetate

C3H5BrO2

结构：CCCCCc1c(-c2ccccc2)n(Cc2ccccc2)c2ccc(-c3ccc(O)cc3)cc12

HCID68815551

未命名化合物

PRODUCTS

生成物

结构：CCCCCc1c(-c2ccccc2)n(Cc2ccccc2)c2ccc(-c3ccc(OCC(=O)OC)cc3)cc12

HCID68814967

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52dff3a3122840d3af2805b982d2933e
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

[Br:41][CH2:42][C:43](=[O:44])[O:45][CH3:46].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9](-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:10]([CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[c:11]2[cH:12][c:13](-[c:17]3[cH:18][cH:19][c:20]([OH:23])[cH:21][cH:22]3)[cH:14][cH:15][c:16]12.[CH3:47][C:48](=[O:49])[CH3:50].[K+:35].[K+:36].[O-:37][C:38]([O-:39])=[O:40]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9](-[c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:10]([CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])[c:11]2[cH:12][c:13](-[c:17]3[cH:18][cH:19][c:20]([O:23][CH2:42][C:43](=[O:44])[O:45][CH3:46])[cH:21][cH:22]3)[cH:14][cH:15][c:16]12