HRID2342514

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID10398913

未命名化合物

HCID11208889

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

C18H19F2NO

PRODUCTS

生成物

结构：CCc1ccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c(OC)c1

HCID23036302

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-357aee32a2ac43a4a16d127a73ba92e8
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

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