HRID102324

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

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

HCID2724700

未命名化合物

结构：COc1ccc(Cn2cc(C(=O)O)c(C(F)(F)F)n2)cc1

HCID58244221

未命名化合物

结构：CNC1CCN(c2nnc(-c3ccc(F)cc3)c(C)c2C)CC1

HCID67368812

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2cc(C(=O)N(C)C3CCN(c4nnc(-c5ccc(F)cc5)c(C)c4C)CC3)c(C(F)(F)F)n2)cc1

HCID58486421

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-730bb4eb09414f8e883411ab43285bb9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:64][O:65][c:66]1[cH:67][cH:68][c:69]([CH2:70][n:71]2[n:72][c:73]([C:79]([F:80])([F:81])[F:82])[c:74]([C:76](=[O:77])[OH:78])[cH:75]2)[cH:83][cH:84]1.[F:41][c:42]1[cH:43][cH:44][c:45](-[c:48]2[c:49]([CH3:63])[c:50]([CH3:62])[c:51]([N:54]3[CH2:55][CH2:56][CH:57]([NH:60][CH3:61])[CH2:58][CH2:59]3)[n:52][n:53]2)[cH:46][cH:47]1.[O:85]=[CH:86][N:87]([CH3:88])[CH3:89].[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>>[F:41][c:42]1[cH:43][cH:44][c:45](-[c:48]2[c:49]([CH3:63])[c:50]([CH3:62])[c:51]([N:54]3[CH2:55][CH2:56][CH:57]([N:60]([CH3:61])[C:76]([c:74]4[c:73]([C:79]([F:80])([F:81])[F:82])[n:72][n:71]([CH2:70][c:69]5[cH:68][cH:67][c:66]([O:65][CH3:64])[cH:84][cH:83]5)[cH:75]4)=[O:77])[CH2:58][CH2:59]3)[n:52][n:53]2)[cH:46][cH:47]1