HRID1571799

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID70556

Spirodecanone

C13H17N3O

HCID13002954

2-(3-Chloropropyl)-2-(4-fluoro-2-methylphenyl)-1,3-dioxolane

C13H16ClFO2

PRODUCTS

生成物

结构：Cc1cc(F)ccc1C1(CCCN2CCC3(CC2)C(=O)NCN3c2ccccc2)OCCO1

HCID20560268

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb5c7bcea06a4358b4a94d616dcb752b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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