HRID689567

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

HCID3776

Isopropanol

C3H8O

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID11208889

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

C18H19F2NO

HCID12760306

1-(3-Chloropropoxy)-3-methylbenzene

C10H13ClO

PRODUCTS

生成物

结构：Cc1cccc(OCCCN2CCC(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1

HCID23036447

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-226b24c7a5104f758aa6476a72c284ff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH2:43]([OH:44])[CH2:45][CH2:46][CH3:47].[CH3:48][CH:49]([OH:50])[CH3:51].[Cl:23][CH2:24][CH2:25][CH2:26][O:27][c:28]1[cH:29][c:30]([CH3:34])[cH:31][cH:32][cH:33]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]>>[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][CH2:26][O:27][c:28]3[cH:29][c:30]([CH3:34])[cH:31][cH:32][cH:33]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