HRID186896

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-

HCID71081

Oxalic acid, ion(2-)

C2O4-2

HCID3018222

1-(3-Chloropropoxy)-2-fluorobenzene

C9H10ClFO

HCID13250544

4-[Bis(4-fluorophenyl)methyl]piperidine

C18H19F2N

PRODUCTS

生成物

HCID971

Oxalic acid

C2H2O4

结构：Fc1ccc(C(c2ccc(F)cc2)C2CCN(CCCOc3ccccc3F)CC2)cc1

HCID14407085

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-572c2070f6c44b07af726a41eccf48f8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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