HRID185823

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

HCID3432343

3-(4-Fluorobenzyl)piperidine

C12H16FN

HCID178463374

未命名化合物

PRODUCTS

生成物

结构：CC(NC1CSCC1C(=O)N1CCCC(Cc2ccc(F)cc2)C1)c1ccccc1

HCID178463373

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2165e8e41f8a4c53acaa5f03590c973a
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

[CH3:51][CH2:52][N:53]([CH2:54][CH3:55])[CH2:56][CH3:57].[Cl:72][CH2:73][Cl:74].[F:58][c:59]1[cH:60][cH:61][c:62]([CH2:63][CH:64]2[CH2:65][NH:66][CH2:67][CH2:68][CH2:69]2)[cH:70][cH:71]1.[P-:18]([F:19])([F:20])([F:21])([F:22])([F:23])[F:24].[c:1]1([CH:7]([CH3:8])[NH:9][CH:10]2[CH:11]([C:15](=[O:16])[OH:17])[CH2:12][S:13][CH2:14]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[n:25]1([O:26][P+:27]([N:28]2[CH2:29][CH2:30][CH2:31][CH2:32]2)([N:33]2[CH2:34][CH2:35][CH2:36][CH2:37]2)[N:38]2[CH2:39][CH2:40][CH2:41][CH2:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[c:1]1([CH:7]([CH3:8])[NH:9][CH:10]2[CH:11]([C:15](=[O:17])[N:66]3[CH2:65][CH:64]([CH2:63][c:62]4[cH:61][cH:60][c:59]([F:58])[cH:71][cH:70]4)[CH2:69][CH2:68][CH2:67]3)[CH2:12][S:13][CH2:14]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1