HRID2346703

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6328

Methyl iodide

CH3I

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

HCID13560729

未命名化合物

HCID14349126

1-(3-Hydroxyphenyl)hexan-1-one

C12H16O2

PRODUCTS

生成物

结构：CCCCC(C)C(=O)c1cccc(OCc2ccc3ccccc3n2)c1

HCID14349127

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a64288a531684b51b29f42792d125b26
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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