HRID1149437

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID69861

4-tert-Butylaniline

C10H15N

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

结构：O=C(O)c1cccc(-c2cn3ccnc3c(Nc3ccc(C(=O)N4CCOCC4)cc3)n2)c1

HCID59754694

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(NC(=O)c2cccc(-c3cn4ccnc4c(Nc4ccc(C(=O)N5CCOCC5)cc4)n3)c2)cc1

HCID11713941

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5511e5cb6e9466294ecd83df0b17f60
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:61]([CH3:62])([CH3:63])([CH3:64])[c:65]1[cH:66][cH:67][c:68]([NH2:71])[cH:69][cH:70]1.[O:1]1[CH2:2][CH2:3][N:4]([C:7](=[O:8])[c:9]2[cH:10][cH:11][c:12]([NH:15][c:16]3[c:17]4[n:18]([cH:19][c:20](-[c:22]5[cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29][cH:30]5)[n:21]3)[cH:31][cH:32][n:33]4)[cH:13][cH:14]2)[CH2:5][CH2:6]1.[O:72]=[CH:73][N:74]([CH3:75])[CH3:76].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][P+:43]([N:44]([CH3:45])[CH3:46])([N:47]([CH3:48])[CH3:49])[N:50]([CH3:51])[CH3:52])[c:53]2[cH:54][cH:55][cH:56][cH:57][c:58]2[n:59][n:60]1>>[O:1]1[CH2:2][CH2:3][N:4]([C:7](=[O:8])[c:9]2[cH:10][cH:11][c:12]([NH:15][c:16]3[c:17]4[n:18]([cH:19][c:20](-[c:22]5[cH:23][c:24]([C:25](=[O:27])[NH:71][c:68]6[cH:67][cH:66][c:65]([C:61]([CH3:62])([CH3:63])[CH3:64])[cH:70][cH:69]6)[cH:28][cH:29][cH:30]5)[n:21]3)[cH:31][cH:32][n:33]4)[cH:13][cH:14]2)[CH2:5][CH2:6]1