HRID94338

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7375

3-(Trifluoromethyl)aniline

C7H6F3N

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID204484

Propylphosphonic acid

C3H9O3P

HCID57455161

未命名化合物

PRODUCTS

生成物

结构：Nc1cc(Oc2ccc3c(C(=O)Nc4cccc(C(F)(F)F)c4)cccc3c2)ncn1

HCID16071548

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d9b467ed4784457bdbc31bfa5f13411
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

[CH2:40]([P:41]([OH:42])([OH:43])=[O:44])[CH2:45][CH3:46].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:47][N:48]([c:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1)[CH3:55].[F:22][C:23]([c:24]1[cH:25][c:26]([NH2:27])[cH:28][cH:29][cH:30]1)([F:31])[F:32].[NH2:1][c:2]1[cH:3][c:4]([O:8][c:9]2[cH:10][c:11]3[cH:12][cH:13][cH:14][c:15]([C:19](=[O:20])[OH:21])[c:16]3[cH:17][cH:18]2)[n:5][cH:6][n:7]1.[O:56]=[CH:57][N:58]([CH3:59])[CH3:60]>>[NH2:1][c:2]1[cH:3][c:4]([O:8][c:9]2[cH:10][c:11]3[cH:12][cH:13][cH:14][c:15]([C:19](=[O:21])[NH:27][c:26]4[cH:25][c:24]([C:23]([F:22])([F:31])[F:32])[cH:30][cH:29][cH:28]4)[c:16]3[cH:17][cH:18]2)[n:5][cH:6][n:7]1