HRID111300

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID2734878

1-[4-Fluoro-2-(trifluoromethyl)phenyl]methanamine

C8H7F4N

HCID59448221

未命名化合物

PRODUCTS

生成物

结构：CNc1nc(C)nc(NC2CCCC(C(=O)NCc3ccc(F)cc3C(F)(F)F)C2)n1

HCID67493522

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd9196122eb249bc87ab2959b3306c39
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

[CH3:1][c:2]1[n:3][c:4]([NH:10][CH:11]2[CH2:12][CH:13]([C:17](=[O:18])[OH:19])[CH2:14][CH2:15][CH2:16]2)[n:5][c:6]([NH:8][CH3:9])[n:7]1.[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[F:20][c:21]1[cH:22][c:23]([C:29]([F:30])([F:31])[F:32])[c:24]([CH2:27][NH2:28])[cH:25][cH:26]1.[P-:42]([F:43])([F:44])([F:45])([F:46])([F:47])[F:48].[n:49]1([O:50][P+:51]([N:52]([CH3:53])[CH3:54])([N:55]([CH3:56])[CH3:57])[N:58]([CH3:59])[CH3:60])[c:61]2[cH:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1>>[CH3:1][c:2]1[n:3][c:4]([NH:10][CH:11]2[CH2:12][CH:13]([C:17](=[O:19])[NH:28][CH2:27][c:24]3[c:23]([C:29]([F:30])([F:31])[F:32])[cH:22][c:21]([F:20])[cH:26][cH:25]3)[CH2:14][CH2:15][CH2:16]2)[n:5][c:6]([NH:8][CH3:9])[n:7]1