HRID150775

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID102621

2,2-Dichloro-1-methylcyclopropane-1-carboxylic acid

C5H6Cl2O2

结构：CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID2777786

1-[3-(Trifluoromethyl)-2-pyridinyl]piperazine

C10H12F3N3

PRODUCTS

生成物

结构：CC1(C(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)CC1(Cl)Cl

HCID68556368

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6e6cba62e6741c7b4d4c576c8f5542b
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

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