HRID2156227

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3283

Diethyl Ether

C4H10O

HCID7504

Benzylamine

C7H9N

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

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)c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1

HCID1083675

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccccc1)c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1

HCID1111319

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-499be26d3557410e8a7d7db160a96357
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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