HRID1239549

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

HCID130500

未命名化合物

HCID23112378

未命名化合物

结构：Cc1cc(C(=O)N2CCc3nc(C)n(Cc4ccccc4)c3-c3ccccc32)ccc1CN

HCID57555234

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)N2CCc3nc(C)n(Cc4ccccc4)c3-c3ccccc32)ccc1CNC(=O)C1CCN(CCC(C)(C)C)CC1

HCID57555226

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f4f3121524543f6b5af3ffb69041b71
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

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