HRID294522

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID12308

3-Bromo-1-propanol

C3H7BrO

HCID19660

Carbonate

CO3-2

结构：CCCOc1c(O)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CC(C)=O

HCID19899146

未命名化合物

PRODUCTS

生成物

结构：CCCOc1c(OCCCO)cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)O2)cc1S(=O)(=O)CC(C)=O

HCID19899133

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31f38b68619b4b46b17420e67289753e
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:36][CH2:37][CH2:38][CH2:39][OH:40].[C:41](=[O:42])([O-:43])[O-:44].[CH2:52]([O:53][CH2:54][CH3:55])[CH3:56].[K+:45].[K+:46].[O:1]=[C:2]([CH2:3][S:4](=[O:5])(=[O:6])[c:7]1[cH:8][c:9]([CH:18]2[O:19][CH:20]([c:23]3[cH:24][c:25]([O:33][CH3:34])[c:26]([O:31][CH3:32])[c:27]([O:29][CH3:30])[cH:28]3)[CH2:21][CH2:22]2)[cH:10][c:11]([OH:17])[c:12]1[O:13][CH2:14][CH2:15][CH3:16])[CH3:35].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[O:1]=[C:2]([CH2:3][S:4](=[O:5])(=[O:6])[c:7]1[cH:8][c:9]([CH:18]2[O:19][CH:20]([c:23]3[cH:24][c:25]([O:33][CH3:34])[c:26]([O:31][CH3:32])[c:27]([O:29][CH3:30])[cH:28]3)[CH2:21][CH2:22]2)[cH:10][c:11]([O:17][CH2:37][CH2:38][CH2:39][OH:40])[c:12]1[O:13][CH2:14][CH2:15][CH3:16])[CH3:35]