HRID300633

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2775198

1-(2,4-Dihydroxy-3-propylphenyl)ethan-1-one

C11H14O3

反应SMILES：CCCc1c(OCCCC(=O)OCC)ccc(C(C)=O)c1OCCOCCOCCOS(C)(=O)=O

HCID14330017

未命名化合物

PRODUCTS

产物

反应SMILES：CCCc1c(OCCOCCOCCOc2c(C(C)=O)ccc(OCCCC(=O)OCC)c2CCC)ccc(C(C)=O)c1O

HCID14329988

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5e703b97191041a392b30a86b394cc6b
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

[C:50](=[O:51])([O-:52])[O-:53].[CH2:15]([CH3:16])[O:17][C:18]([CH2:19][CH2:20][CH2:21][O:22][c:23]1[c:24]([CH2:46][CH2:47][CH3:48])[c:25]([O:32][CH2:33][CH2:34][O:35][CH2:36][CH2:37][O:38][CH2:39][CH2:40][O:41][S:42]([CH3:43])(=[O:44])=[O:45])[c:26]([C:29]([CH3:30])=[O:31])[cH:27][cH:28]1)=[O:49].[CH3:56][C:57](=[O:58])[CH3:59].[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[K+:54].[K+:55].[OH:1][c:2]1[c:3]([C:12]([CH3:13])=[O:14])[cH:4][cH:5][c:6]([OH:11])[c:7]1[CH2:8][CH2:9][CH3:10]>>[OH:1][c:2]1[c:3]([C:12]([CH3:13])=[O:14])[cH:4][cH:5][c:6]([O:41][CH2:40][CH2:39][O:38][CH2:37][CH2:36][O:35][CH2:34][CH2:33][O:32][c:25]2[c:24]([CH2:46][CH2:47][CH3:48])[c:23]([O:22][CH2:21][CH2:20][CH2:19][C:18]([O:17][CH2:15][CH3:16])=[O:49])[cH:28][cH:27][c:26]2[C:29]([CH3:30])=[O:31])[c:7]1[CH2:8][CH2:9][CH3:10]