HRID87685

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID240404

3-Chloro-N-phenylpropanamide

C9H10ClNO

HCID11208889

bis(4-fluorophenyl)(piperidin-4-yl)methanol

C18H19F2NO

PRODUCTS

生成物

结构：O=C(CCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1)Nc1ccccc1

HCID19992251

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-629ced87b65749c2ae514f3a033cbf01
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

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