HRID2129836

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID204484

Propylphosphonic acid

C3H9O3P

HCID46838908

4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline

C13H18F3N3

HCID66636805

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(C(=O)Nc3ccc(CN4CCN(C)CC4)c(C(F)(F)F)c3)nsc2c1

HCID66992887

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-537aa529305b4e63b2a0e3569472d4d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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