HRID87333

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID17313

Heptanoyl chloride

C7H13ClO

结构：CC1CC2=CC(=O)CCC2C2C(F)CC3(C)C(O)CCC3C12

HCID178422121

未命名化合物

PRODUCTS

生成物

结构：CCCCCCC(=O)OC1CCC2C3C(C)CC4=CC(=O)CCC4C3C(F)CC12C

HCID178444186

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fcba5e51c5aa498ea7abc68a6f927f66
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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