HRID99668

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

结构：O=C(Cl)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1

HCID22047762

未命名化合物

HCID22047909

3-(4-Piperidinyl)benzenamine

C11H16N2

PRODUCTS

生成物

结构：Nc1cccc(C2CCN(C(=O)Oc3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)CC2)c1

HCID69519611

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e1824e3c39945fda277856c54219818
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

[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[Cl:15][C:16](=[O:17])[O:18][c:19]1[cH:20][cH:21][c:22]([O:25][c:26]2[n:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]2)[cH:23][cH:24]1.[Cl:36][CH2:37][Cl:38].[ClH:14].[NH2:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1>>[NH2:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][CH2:10][N:11]([C:16](=[O:17])[O:18][c:19]3[cH:20][cH:21][c:22]([O:25][c:26]4[n:27][cH:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]4)[cH:23][cH:24]3)[CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1