HRID171451

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID11208889

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

C18H19F2NO

HCID14407173

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1

HCID14407129

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eebcb8f6ae664a809d3df64ee2778d1b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:23][O:24][C:25]([c:26]1[cH:27][c:28]([O:37][CH3:38])[c:29]([O:32][CH2:33][CH2:34][CH2:35][Cl:36])[cH:30][cH:31]1)=[O:39].[CH3:48][N:49]([CH3:50])[CH:51]=[O:52].[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-:47].[K+:46].[Na+:40].[Na+:41].[O-:42][C:43](=[O:44])[O-:45]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]([OH:9])([CH:10]2[CH2:11][CH2:12][N:13]([CH2:35][CH2:34][CH2:33][O:32][c:29]3[c:28]([O:37][CH3:38])[cH:27][c:26]([C:25]([O:24][CH3:23])=[O:39])[cH:31][cH:30]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