HRID702904

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

HCID854162

未命名化合物

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

HCID59683214

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(NC(=O)OC(C)(C)C)c1

HCID58024757

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e10c4384c8e0405cac727c595f6c0575
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

[CH3:23][C:24]([CH3:25])([CH3:26])[O:27][C:28](=[O:29])[NH:30][c:31]1[cH:32][c:33]([C:34](=[O:35])[OH:36])[cH:37][cH:38][cH:39]1.[CH3:82][N:83]([CH3:84])[CH:85]=[O:86].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[NH2:1][CH2:2][c:3]1[c:4]([NH:16][CH:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[c:5]2[c:6]([n:7][c:8]1[CH2:9][CH3:10])[n:11]([CH2:14][CH3:15])[n:12][cH:13]2.[P-:49]([F:50])([F:51])([F:52])([F:53])([F:54])[F:55].[n:56]1([O:57][P+:58]([N:59]2[CH2:60][CH2:61][CH2:62][CH2:63]2)([N:64]2[CH2:65][CH2:66][CH2:67][CH2:68]2)[N:69]2[CH2:70][CH2:71][CH2:72][CH2:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][c:79]2[n:80][n:81]1>>[NH:1]([CH2:2][c:3]1[c:4]([NH:16][CH:17]2[CH2:18][CH2:19][O:20][CH2:21][CH2:22]2)[c:5]2[c:6]([n:7][c:8]1[CH2:9][CH3:10])[n:11]([CH2:14][CH3:15])[n:12][cH:13]2)[C:34]([c:33]1[cH:32][c:31]([NH:30][C:28]([O:27][C:24]([CH3:23])([CH3:25])[CH3:26])=[O:29])[cH:39][cH:38][cH:37]1)=[O:35]