HRID174756

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

结构：CC(C)(C)OC(=O)N1CCC(NC(=O)OCc2ccccc2)C(C(=O)O)C1

HCID45043170

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(NC(=O)OCc2ccccc2)C(C(=O)N2CCCC(Cc3ccc(F)cc3)C2)C1

HCID69924533

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3c367f5fdfb403b9b8f86d559266689
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:25](=[O:26])[OH:27])[CH:11]([NH:14][C:15](=[O:16])[O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[CH2:12][CH2:13]1.[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[Cl:82][CH2:83][Cl:84].[F:68][c:69]1[cH:70][cH:71][c:72]([CH2:73][CH:74]2[CH2:75][NH:76][CH2:77][CH2:78][CH2:79]2)[cH:80][cH:81]1.[P-:28]([F:29])([F:30])([F:31])([F:32])([F:33])[F:34].[n:35]1([O:36][P+:37]([N:38]2[CH2:39][CH2:40][CH2:41][CH2:42]2)([N:43]2[CH2:44][CH2:45][CH2:46][CH2:47]2)[N:48]2[CH2:49][CH2:50][CH2:51][CH2:52]2)[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([C:25](=[O:26])[N:76]2[CH2:75][CH:74]([CH2:73][c:72]3[cH:71][cH:70][c:69]([F:68])[cH:81][cH:80]3)[CH2:79][CH2:78][CH2:77]2)[CH:11]([NH:14][C:15](=[O:16])[O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[CH2:12][CH2:13]1