HRID168182

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6342

Acetonitrile

C2H3N

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID45157108

2-(Piperidin-3-yl)propan-2-ol

C8H17NO

HCID68682921

未命名化合物

PRODUCTS

生成物

结构：CC(C)(O)C1CCCN(C(=O)c2cnoc2-c2ccc(C(F)(F)F)cc2)C1

HCID24809857

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dcc13ad580b4440693bc19b863b35972
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

[B-:19]([F:20])([F:21])([F:22])[F:23].[CH3:48][C:49]([CH3:50])([OH:51])[CH:52]1[CH2:53][NH:54][CH2:55][CH2:56][CH2:57]1.[CH3:58][C:59]#[N:60].[ClH:47].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]([C:14](=[O:15])[OH:16])[cH:11][n:12][o:13]2)[cH:7][cH:8]1)([F:17])[F:18].[cH:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1.[n:24]1([O:25][C:26]([N:27]([CH3:28])[CH3:29])=[N+:30]([CH3:31])[CH3:32])[c:33]2[cH:34][cH:35][cH:36][cH:37][c:38]2[n:39][n:40]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]([C:14](=[O:16])[N:54]3[CH2:53][CH:52]([C:49]([CH3:48])([CH3:50])[OH:51])[CH2:57][CH2:56][CH2:55]3)[cH:11][n:12][o:13]2)[cH:7][cH:8]1)([F:17])[F:18]