HRID1557235

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID417436

未命名化合物

HCID694756

2-(Piperidin-1-yl)-5-(trifluoromethyl)aniline

C12H15F3N2

PRODUCTS

生成物

结构：O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccncc1

HCID2797577

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0221464661724b2bbf28585edc75b69b
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

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