HRID664887

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：CCCc1c(OCOC)ccc(C(O)(C(F)(F)F)C(F)(F)F)c1COC1CCCCO1

HCID57900841

未命名化合物

PRODUCTS

生成物

结构：CCCc1c(OCOC)ccc(C(O)(C(F)(F)F)C(F)(F)F)c1CO

HCID57900790

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86cfa62f4a9048edaa85d13bc840da5c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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