HRID1211350

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID2724942

未命名化合物

HCID45080916

1-(4-Aminopiperidin-1-yl)-2,2,2-trifluoroethan-1-one

C7H11F3N2O

HCID57815212

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(N1CCC(NCc2ccc3ccc(=O)[nH]c3n2)CC1)C(F)(F)F

HCID57815446

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c172d6fd86cc480eaee2104a78c94859
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

[C:31]([O:32][BH-:33]([O:34][C:35](=[O:36])[CH3:37])[O:38][C:39](=[O:40])[CH3:41])(=[O:42])[CH3:43].[CH3:27][C:28](=[O:29])[OH:30].[Cl:45][CH2:46][Cl:47].[F:1][C:2]([C:3](=[O:4])[N:5]1[CH2:6][CH2:7][CH:8]([NH2:11])[CH2:9][CH2:10]1)([F:12])[F:13].[Na+:44].[O:14]=[c:15]1[cH:16][cH:17][c:18]2[cH:19][cH:20][c:21]([CH:25]=[O:26])[n:22][c:23]2[nH:24]1.[OH2:48]>>[F:1][C:2]([C:3](=[O:4])[N:5]1[CH2:6][CH2:7][CH:8]([NH:11][CH2:25][c:21]2[cH:20][cH:19][c:18]3[cH:17][cH:16][c:15](=[O:14])[nH:24][c:23]3[n:22]2)[CH2:9][CH2:10]1)([F:12])[F:13]