HRID1226071

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7894

3-Methyl-1-butanamine

C5H13N

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

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

HCID2724700

未命名化合物

HCID68569686

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCNC(=O)c1cnc(N2CCCC2)c(OCC2CCC2)n1

HCID24831097

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2b5e3fb69f7444186d5d1e8a95c46fa
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

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