HRID1541195

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1118

Sulfuric acid

H2O4S

HCID14812

Phosphorus oxide (P4O10)

O10P4

结构：CCOC(=O)C(C(=O)OCC)C(=O)C1(c2cccc(C(F)(F)F)c2)CCOCC1

HCID67099793

1,3-Diethyl 2-[[tetrahydro-4-[3-(trifluoromethyl)phenyl]-2H-pyran-4-yl]carbonyl]propanedioate

C20H23F3O6

PRODUCTS

生成物

结构：CCOC(=O)C1=C(O)c2ccc(C(F)(F)F)cc2C2(CCOCC2)C1=O

HCID67099747

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-395cc9731cb44a31b23aeb6fffc2c055
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

[F:20][C:21]([c:22]1[cH:23][c:24]([C:28]2([C:34](=[O:35])[CH:36]([C:37](=[O:38])[O:39][CH2:40][CH3:41])[C:42](=[O:43])[O:44][CH2:45][CH3:46])[CH2:29][CH2:30][O:31][CH2:32][CH2:33]2)[cH:25][cH:26][cH:27]1)([F:47])[F:48].[O:6]=[P:7]12[O:8][P:9]3(=[O:19])[O:10][P:11](=[O:17])([O:12][P:13](=[O:16])([O:14]3)[O:15]1)[O:18]2.[OH2:49].[S:1](=[O:2])(=[O:3])([OH:4])[OH:5]>>[F:20][C:21]([c:22]1[cH:23][c:24]2[c:25]([cH:26][cH:27]1)[C:37]([OH:38])=[C:36]([C:42](=[O:43])[O:44][CH2:45][CH3:46])[C:34](=[O:35])[C:28]21[CH2:29][CH2:30][O:31][CH2:32][CH2:33]1)([F:47])[F:48]