HRID112527

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

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID11218492

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

C10H12F3N3

HCID68612849

未命名化合物

PRODUCTS

生成物

结构：CCOCC1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CCC(NC(=O)OC(C)(C)C)C1

HCID178467643

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f5a6186c1fd44af3872cbfe305695398
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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