HRID675796

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID10439

2-Aminopyridine

C5H6N2

HCID81531

Diisopropylethylamine

C8H19N

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID22315279

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccccn1)C(CC1CCCC1)c1ccc(C(F)(F)F)cc1

HCID22315300

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad8eb6c9b05c4e05b30a222525cc4905
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:64][N:65]([CH3:66])[CH:67]=[O:68].[CH:28]1([CH2:33][CH:34]([C:35](=[O:36])[OH:37])[c:38]2[cH:39][cH:40][c:41]([C:44]([F:45])([F:46])[F:47])[cH:42][cH:43]2)[CH2:29][CH2:30][CH2:31][CH2:32]1.[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[NH2:48][c:49]1[n:50][cH:51][cH:52][cH:53][cH:54]1.[OH2:69].[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>>[CH:28]1([CH2:33][CH:34]([C:35](=[O:37])[NH:48][c:49]2[n:50][cH:51][cH:52][cH:53][cH:54]2)[c:38]2[cH:39][cH:40][c:41]([C:44]([F:45])([F:46])[F:47])[cH:42][cH:43]2)[CH2:29][CH2:30][CH2:31][CH2:32]1