HRID1548858

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+

HCID59448221

未命名化合物

HCID67339687

未命名化合物

PRODUCTS

生成物

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

HCID67493454

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9cba83b59bd4a7c8ae8dd122766c3d5
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

[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.[CH3:70][N:71]([CH3:72])[CH:73]=[O:74].[CH:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH2:39][CH3:40])([CH3:41])[CH3:42].[NH2:20][CH2:21][c:22]1[c:23]([C:30]([F:31])([F:32])[F:33])[cH:24][c:25]([C:26]#[N:27])[cH:28][cH:29]1.[P-:43]([F:44])([F:45])([F:46])([F:47])([F:48])[F:49].[n:50]1([O:51][P+:52]([N:53]([CH3:54])[CH3:55])([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>>[CH3:1][c:2]1[n:3][c:4]([NH:10][CH:11]2[CH2:12][CH:13]([C:17](=[O:19])[NH:20][CH2:21][c:22]3[c:23]([C:30]([F:31])([F:32])[F:33])[cH:24][c:25]([C:26]#[N:27])[cH:28][cH:29]3)[CH2:14][CH2:15][CH2:16]2)[n:5][c:6]([NH:8][CH3:9])[n:7]1