HRID1231534

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID700

Ethanolamine

C2H7NO

HCID6228

Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID22311998

未命名化合物

PRODUCTS

产物

HCID10305603

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-397751c1bcc944d88bdcfc60eeb598bd
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

[CH2:79]([OH:80])[CH2:81][NH2:82].[CH:70]([N:71]([CH2:72][CH3:73])[CH:74]([CH3:75])[CH3:76])([CH3:77])[CH3:78].[F:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([s:7][c:8]([C:42](=[O:43])[OH:44])[c:9]2[CH:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][CH2:18][n:19]3[n:20][c:21](-[c:32]4[cH:33][cH:34][c:35]([C:38]([F:39])([F:40])[F:41])[cH:36][cH:37]4)[c:22]4[c:27]3[CH2:26][CH2:25][N:24]([S:28](=[O:29])(=[O:30])[CH3:31])[CH2:23]4)[CH2:14][CH2:15]2)[cH:45]1.[O:83]=[CH:84][N:85]([CH3:86])[CH3:87].[P-:46]([F:47])([F:48])([F:49])([F:50])([F:51])[F:52].[n:53]1([O:54][C:55]([N:56]([CH3:57])[CH3:58])=[N+:59]([CH3:60])[CH3:61])[c:62]2[cH:63][cH:64][cH:65][cH:66][c:67]2[n:68][n:69]1>>[F:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([s:7][c:8]([C:42](=[O:43])[NH:82][CH2:81][CH2:79][OH:80])[c:9]2[CH:10]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][CH2:18][n:19]3[n:20][c:21](-[c:32]4[cH:33][cH:34][c:35]([C:38]([F:39])([F:40])[F:41])[cH:36][cH:37]4)[c:22]4[c:27]3[CH2:26][CH2:25][N:24]([S:28](=[O:29])(=[O:30])[CH3:31])[CH2:23]4)[CH2:14][CH2:15]2)[cH:45]1