HRID211791

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID11456

m-Bromobenzoic acid

C7H5BrO2

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID11043912

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

C16H20N2O2

PRODUCTS

生成物

结构：O=C(Nc1ccc(OCCN2CCOCC2)c2ccccc12)c1cccc(Br)c1

HCID59553118

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d50e565aa2a743d399c88bc1544a9386
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

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