HRID166141

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7912

Diisopropylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID69381

Piperidine, 4-methyl-

C6H13N

HCID130500

未命名化合物

HCID11043912

4-[2-(Morpholin-4-yl)ethoxy]naphthalen-1-amine

C16H20N2O2

HCID59553311

未命名化合物

PRODUCTS

生成物

结构：CC1CCN(c2cc(F)cc(C(=O)Nc3ccc(OCCN4CCOCC4)c4ccccc34)c2)CC1

HCID59553173

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f4275cdb13944b590bd87105b6ff9b3
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

[CH3:38][CH:39]1[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]1.[CH:69]([NH:70][CH:71]([CH3:72])[CH3:73])([CH3:74])[CH3:75].[Cl:81][CH2:82][Cl:83].[F:21][c:22]1[cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][c:29]([N:31]2[CH2:32][CH2:33][CH:34]([CH3:37])[CH2:35][CH2:36]2)[cH:30]1.[O:1]1[CH2:2][CH2:3][N:4]([CH2:7][CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([NH2:20])[c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]23)[CH2:5][CH2:6]1.[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[P-:45]([F:46])([F:47])([F:48])([F:49])([F:50])[F:51].[n:52]1([O:53][C:54]([N:55]([CH3:56])[CH3:57])=[N+:58]([CH3:59])[CH3:60])[c:61]2[cH:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1>>[O:1]1[CH2:2][CH2:3][N:4]([CH2:7][CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([NH:20][C:25]([c:24]3[cH:23][c:22]([F:21])[cH:30][c:29]([N:31]4[CH2:32][CH2:33][CH:34]([CH3:37])[CH2:35][CH2:36]4)[cH:28]3)=[O:26])[c:14]3[cH:15][cH:16][cH:17][cH:18][c:19]23)[CH2:5][CH2:6]1