HRID1206782

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID13019281

Benzoic acid, 2,4-dihydroxy-3-propyl-, methyl ester

C11H14O4

HCID14986429

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(OCCCCCC(=O)c2c(C)c(C)c(OC)c(OC)c2C)ccc(C(=O)OC)c1O

HCID14986430

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40974253eb9743b7a8ea4c2d1afff2a8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][C:7](=[O:8])[c:9]1[c:10]([CH3:21])[c:11]([O:19][CH3:20])[c:12]([O:17][CH3:18])[c:13]([CH3:16])[c:14]1[CH3:15].[C:37](=[O:38])([O-:39])[O-:40].[CH3:22][O:23][C:24]([c:25]1[c:26]([OH:35])[c:27]([CH2:32][CH2:33][CH3:34])[c:28]([OH:31])[cH:29][cH:30]1)=[O:36].[CH3:43][C:44](=[O:45])[CH3:46].[K+:41].[K+:42].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][C:7](=[O:8])[c:9]1[c:10]([CH3:21])[c:11]([O:19][CH3:20])[c:12]([O:17][CH3:18])[c:13]([CH3:16])[c:14]1[CH3:15])[O:31][c:28]1[c:27]([CH2:32][CH2:33][CH3:34])[c:26]([OH:35])[c:25]([C:24]([O:23][CH3:22])=[O:36])[cH:30][cH:29]1