HRID97300

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID971

Oxalic acid

C2H2O4

HCID1049

Pyridine

C5H5N

HCID6342

Acetonitrile

C2H3N

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID3853247

3-(2-chlorophenyl)pyrrolidine

C10H12ClN

HCID68682921

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cnoc1-c1ccc(C(F)(F)F)cc1)N1CCC(c2ccccc2Cl)C1

HCID24809859

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eee1545b5d344817b43c90d88d120b17
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

[B-:19]([F:20])([F:21])([F:22])[F:23].[C:47]([OH:48])(=[O:49])[C:50]([OH:51])=[O:52].[CH3:65][C:66]#[N:67].[Cl:53][c:54]1[c:55]([CH:60]2[CH2:61][NH:62][CH2:63][CH2:64]2)[cH:56][cH:57][cH:58][cH:59]1.[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:62]3[CH2:61][CH:60]([c:55]4[c:54]([Cl:53])[cH:59][cH:58][cH:57][cH:56]4)[CH2:64][CH2:63]3)[cH:11][n:12][o:13]2)[cH:7][cH:8]1)([F:17])[F:18]