HRID1207272

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+

HCID419223

4-Aminotetrahydropyran

C5H11NO

结构：COc1cnc(Nc2cccc(C(=O)O)c2)nc1-c1cnn(C(CC#N)C2CC2)c1

HCID68758597

未命名化合物

PRODUCTS

生成物

结构：COc1cnc(Nc2cccc(C(=O)NC3CCOCC3)c2)nc1-c1cnn(C(CC#N)C2CC2)c1

HCID58014385

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-978b13b619814612bce1d0b92b544c52
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:1](#[N:2])[CH2:3][CH:4]([CH:5]1[CH2:6][CH2:7]1)[n:8]1[n:9][cH:10][c:11](-[c:13]2[n:14][c:15]([NH:21][c:22]3[cH:23][c:24]([C:25](=[O:26])[OH:27])[cH:28][cH:29][cH:30]3)[n:16][cH:17][c:18]2[O:19][CH3:20])[cH:12]1.[CH3:65][N:66]([CH3:67])[CH:68]=[O:69].[CH:70]([N:71]([CH2:72][CH3:73])[CH:74]([CH3:75])[CH3:76])([CH3:77])[CH3:78].[O:31]1[CH2:32][CH2:33][CH:34]([NH2:37])[CH2:35][CH2:36]1.[P-:38]([F:39])([F:40])([F:41])([F:42])([F:43])[F:44].[n:45]1([O:46][P+:47]([N:48]([CH3:49])[CH3:50])([N:51]([CH3:52])[CH3:53])[N:54]([CH3:55])[CH3:56])[c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[C:1](#[N:2])[CH2:3][CH:4]([CH:5]1[CH2:6][CH2:7]1)[n:8]1[n:9][cH:10][c:11](-[c:13]2[n:14][c:15]([NH:21][c:22]3[cH:23][c:24]([C:25](=[O:27])[NH:37][CH:34]4[CH2:33][CH2:32][O:31][CH2:36][CH2:35]4)[cH:28][cH:29][cH:30]3)[n:16][cH:17][c:18]2[O:19][CH3:20])[cH:12]1