HRID117780

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-

HCID75260

4-(4-Fluorophenyl)piperazine

C10H13FN2

HCID13323908

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1cc(OCC(O)CCN2CCN(c3ccc(F)cc3)CC2)ccc1Cl

HCID14422854

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-028ab0e1f1cf47aab79a5f74c96af360
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

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