HRID1236387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

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

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID7130633

3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoic acid

C11H10N2O3

HCID178446166

未命名化合物

PRODUCTS

生成物

结构：CCCCCn1c(=NNC(=O)CCc2nnc(-c3ccccc3)o2)[nH]c(=O)c2[nH]cnc21

HCID178446152

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-be2293ad0edf41228bf0895b03f54012
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

[CH2:17]([CH2:18][CH2:19][CH2:20][CH3:21])[n:22]1[c:23](=[N:32][NH2:33])[nH:24][c:25](=[O:31])[c:26]2[nH:27][cH:28][n:29][c:30]12.[CH3:70][N:71]([CH3:72])[c:73]1[cH:74][cH:75][n:76][cH:77][cH:78]1.[CH:61]([N:62]([CH2:63][CH3:64])[CH:65]([CH3:66])[CH3:67])([CH3:68])[CH3:69].[O:79]=[CH:80][N:81]([CH3:82])[CH3:83].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[c:1]1(-[c:7]2[n:8][n:9][c:10]([CH2:12][CH2:13][C:14](=[O:15])[OH:16])[o:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[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>>[c:1]1(-[c:7]2[n:8][n:9][c:10]([CH2:12][CH2:13][C:14](=[O:16])[NH:33][N:32]=[c:23]3[n:22]([CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[c:30]4[c:26]([c:25](=[O:31])[nH:24]3)[nH:27][cH:28][n:29]4)[o:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1