HRID154050

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID152932

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

C17H18F2N2

HCID18380623

未命名化合物

PRODUCTS

生成物

结构：CC(C)CC(NC1CCCCC1)C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

HCID18418715

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a0967e19b3043ff9378b4e354a5f961
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

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