HRID109146

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID15413

Methyl tert-butyl ether

C5H12O

HCID166653

Hydride

H-

HCID57682971

未命名化合物

HCID58934187

未命名化合物

PRODUCTS

生成物

结构：CCc1oc(-c2ccc(C(F)(F)F)cc2)nc1COCC1CCCC(COC(C)(C)C(=O)OC(C)(C)C)C1

HCID76591502

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-870163b23c034b8687a0ee36a1361989
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:43]([O:44][CH3:45])([CH3:46])([CH3:47])[CH3:48].[CH2:23]([CH3:24])[c:25]1[c:26]([CH2:40][I:41])[n:27][c:28](-[c:30]2[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]2)[o:29]1.[H-:21].[Na+:22].[OH2:42].[OH:1][CH2:2][CH:3]1[CH2:4][CH:5]([CH2:9][O:10][C:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])([CH3:19])[CH3:20])[CH2:6][CH2:7][CH2:8]1>>[O:1]([CH2:2][CH:3]1[CH2:4][CH:5]([CH2:9][O:10][C:11]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])([CH3:19])[CH3:20])[CH2:6][CH2:7][CH2:8]1)[CH2:40][c:26]1[c:25]([CH2:23][CH3:24])[o:29][c:28](-[c:30]2[cH:31][cH:32][c:33]([C:36]([F:37])([F:38])[F:39])[cH:34][cH:35]2)[n:27]1