HRID184562

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID2724942

未命名化合物

结构：CN(C)CCN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(C=O)cc4)nc3n2)CC1

HCID57713955

未命名化合物

结构：[O-][n+]1ccc(-c2nnc(C3CCNCC3)[nH]2)cc1

HCID178526245

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCN1CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nnc(-c7cc[n+]([O-])cc7)[nH]6)CC5)cc4)nc3n2)CC1

HCID178483709

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3979e83a05004d0baca405a1a9e725f6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:68]([OH:69])(=[O:70])[CH3:71].[C:72]([O:73][BH-:74]([O:75][C:76](=[O:77])[CH3:78])[O:79][C:80](=[O:81])[CH3:82])(=[O:83])[CH3:84].[CH3:1][N:2]([CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][N:8]([c:11]2[n:12][cH:13][c:14]3[c:15]([n:16]2)[n:17][c:18](-[c:27]2[cH:28][cH:29][c:30]([CH:31]=[O:32])[cH:33][cH:34]2)[c:19](-[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:20]3)[CH2:9][CH2:10]1)[CH3:35].[CH3:61][CH2:62][N:63]([CH2:64][CH3:65])[CH2:66][CH3:67].[CH3:91][CH2:92][O:93][C:94]([CH3:95])=[O:96].[F:36][C:37]([F:38])([F:39])[C:40]([OH:41])=[O:42].[NH:43]1[CH2:44][CH2:45][CH:46]([c:49]2[nH:50][c:51](-[c:54]3[cH:55][cH:56][n+:57]([O-:60])[cH:58][cH:59]3)[n:52][n:53]2)[CH2:47][CH2:48]1.[Na+:85].[O:86]=[CH:87][N:88]([CH3:89])[CH3:90]>>[CH3:1][N:2]([CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][N:8]([c:11]2[n:12][cH:13][c:14]3[c:15]([n:16]2)[n:17][c:18](-[c:27]2[cH:28][cH:29][c:30]([CH2:31][N:43]4[CH2:44][CH2:45][CH:46]([c:49]5[nH:50][c:51](-[c:54]6[cH:55][cH:56][n+:57]([O-:60])[cH:58][cH:59]6)[n:52][n:53]5)[CH2:47][CH2:48]4)[cH:33][cH:34]2)[c:19](-[c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[cH:20]3)[CH2:9][CH2:10]1)[CH3:35]