HRID167828

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID204484

Propylphosphonic acid

C3H9O3P

HCID10261388

2-(Trifluoromethyl)pyridin-4-amine

C6H5F3N2

HCID57455159

未命名化合物

PRODUCTS

生成物

结构：Nc1nccc(Oc2ccc3c(C(=O)Nc4ccnc(C(F)(F)F)c4)cccc3c2)n1

HCID86624918

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-212b695a78394f2ba270de028634a07d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

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].[CH3:61][CH2:62][O:63][C:64]([CH3:65])=[O:66].[NH2:1][c:2]1[n:3][cH:4][cH:5][c:6]([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:7]1.[NH2:22][c:23]1[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[n:26][cH:27][cH:28]1.[O:56]=[CH:57][N:58]([CH3:59])[CH3:60].[OH2:67]>>[NH2:1][c:2]1[n:3][cH:4][cH:5][c:6]([O:8][c:9]2[cH:10][c:11]3[cH:12][cH:13][cH:14][c:15]([C:19](=[O:20])[NH:22][c:23]4[cH:24][c:25]([C:29]([F:30])([F:31])[F:32])[n:26][cH:27][cH:28]4)[c:16]3[cH:17][cH:18]2)[n:7]1