HRID1544852

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID11218492

1-[4-(Trifluoromethyl)pyridin-2-yl]piperazine

C10H12F3N3

HCID178437362

未命名化合物

PRODUCTS

生成物

结构：CCC1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CCC(NC(=O)OC(C)(C)C)C1

HCID178437290

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bcf6171093cd478b827ac717126b94a5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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