HRID298853

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：Cc1c(Cc2ccccc2)c2cc(-c3ccc(O)cc3)ccc2n1Cc1ccccc1

HCID68814952

未命名化合物

PRODUCTS

生成物

结构：COC(=O)COc1ccc(-c2ccc3c(c2)c(Cc2ccccc2)c(C)n3Cc2ccccc2)cc1

HCID68815400

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-478984502d4445acb97777aa8140611d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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