HRID1113259

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID166653

Hydride

H-

HCID54261871

未命名化合物

HCID56973583

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(F)CC1COCC=CCOCc1ccccc1

HCID178452169

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42758880f3c7400e97f6c6e00bec132c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:14][OH:15])[CH2:10][CH:11]([F:13])[CH2:12]1.[CH2:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[O:25][CH2:26][CH:27]=[CH:28][CH2:29][Br:30].[CH2:32]1[O:33][CH2:34][CH2:35][CH2:36]1.[CH2:38]([N+:39]([CH2:40][CH2:41][CH2:42][CH3:43])([CH2:44][CH2:45][CH2:46][CH3:47])[CH2:48][CH2:49][CH2:50][CH3:51])[CH2:52][CH2:53][CH3:54].[H-:16].[I-:37].[Na+:17].[OH2:31]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:14][O:15][CH2:29][CH:28]=[CH:27][CH2:26][O:25][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[CH2:10][CH:11]([F:13])[CH2:12]1