HRID1571660

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID70770

Ethyl 4-piperidinecarboxylate

C8H15NO2

反应SMILES：O=C(Nc1ccc(N2CCC(C(=O)O)CC2)cc1)c1nc(-c2ccccc2)oc1C(F)(F)F

HCID57652123

未命名化合物

PRODUCTS

产物

反应SMILES：CCOC(=O)C1CCN(C(=O)C2CCN(c3ccc(NC(=O)c4nc(-c5ccccc5)oc4C(F)(F)F)cc3)CC2)CC1

HCID25120068

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7fb4f961934240299bb1cbd57430492f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[CH2:34]([CH3:35])[O:36][C:37](=[O:38])[CH:39]1[CH2:40][CH2:41][NH:42][CH2:43][CH2:44]1.[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[c:1]1(-[c:7]2[o:8][c:9]([C:30]([F:31])([F:32])[F:33])[c:10]([C:12](=[O:13])[NH:14][c:15]3[cH:16][cH:17][c:18]([N:21]4[CH2:22][CH2:23][CH:24]([C:27](=[O:28])[OH:29])[CH2:25][CH2:26]4)[cH:19][cH:20]3)[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[o:8][c:9]([C:30]([F:31])([F:32])[F:33])[c:10]([C:12](=[O:13])[NH:14][c:15]3[cH:16][cH:17][c:18]([N:21]4[CH2:22][CH2:23][CH:24]([C:27](=[O:28])[N:42]5[CH2:41][CH2:40][CH:39]([C:37]([O:36][CH2:34][CH3:35])=[O:38])[CH2:44][CH2:43]5)[CH2:25][CH2:26]4)[cH:19][cH:20]3)[n:11]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1