HRID2126282

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID152932

1-(Bis(4-fluorophenyl)methyl)piperazine

C17H18F2N2

HCID18418724

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)N(C)C1CCOCC1

HCID18418731

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-147796ea56c34f64a2a44dfeb6616ded
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:1][CH:2]([CH2:3][CH:4]([C:5](=[O:6])[OH:7])[N:8]([CH:9]1[CH2:10][CH2:11][O:12][CH2:13][CH2:14]1)[CH3:15])[CH3:16].[CH3:62][CH2:63][O:64][CH2:65][CH3:66].[F:41][c:42]1[cH:43][cH:44][c:45]([CH:48]([N:49]2[CH2:50][CH2:51][NH:52][CH2:53][CH2:54]2)[c:55]2[cH:56][cH:57][c:58]([F:61])[cH:59][cH:60]2)[cH:46][cH:47]1.[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[P-:17]([F:18])([F:19])([F:20])([F:21])([F:22])[F:23].[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>>[CH3:1][CH:2]([CH2:3][CH:4]([C:5](=[O:7])[N:52]1[CH2:51][CH2:50][N:49]([CH:48]([c:45]2[cH:44][cH:43][c:42]([F:41])[cH:47][cH:46]2)[c:55]2[cH:56][cH:57][c:58]([F:61])[cH:59][cH:60]2)[CH2:54][CH2:53]1)[N:8]([CH:9]1[CH2:10][CH2:11][O:12][CH2:13][CH2:14]1)[CH3:15])[CH3:16]