HRID169112

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

3 次

HCID8080

3,4-Dihydro-2H-pyran

C5H8O

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID85570

Tosylate

C7H7O3S-

HCID2723773

1,1'-(Chloromethylene)bis(4-fluorobenzene)

C13H9ClF2

HCID2784668

4-(4-Piperidyl)-1-butanol

C9H19NO

HCID4989215

Pyridinium

C5H6N+

PRODUCTS

生成物

结构：OCCCCC1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

HCID18425711

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a011e362840f4873864b93918fefd9f3
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

[C:30](=[O:31])([O-:32])[O-:33].[ClH:1].[F:36][c:37]1[cH:38][cH:39][c:40]([CH:43]([Cl:44])[c:45]2[cH:46][cH:47][c:48]([F:51])[cH:49][cH:50]2)[cH:41][cH:42]1.[I-:53].[K+:34].[K+:35].[K+:52].[NH:2]1[CH2:3][CH2:4][CH:5]([CH2:8][CH2:9][CH2:10][CH2:11][OH:12])[CH2:6][CH2:7]1.[O-:13][S:14]([c:15]1[cH:16][cH:17][c:18]([CH3:19])[cH:20][cH:21]1)(=[O:22])=[O:23].[O:54]1[CH:55]=[CH:56][CH2:57][CH2:58][CH2:59]1.[nH+:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[N:2]1([CH:43]([c:40]2[cH:39][cH:38][c:37]([F:36])[cH:42][cH:41]2)[c:45]2[cH:46][cH:47][c:48]([F:51])[cH:49][cH:50]2)[CH2:3][CH2:4][CH:5]([CH2:8][CH2:9][CH2:10][CH2:11][OH:12])[CH2:6][CH2:7]1