HRID114570

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID46838908

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

C13H18F3N3

HCID67021590

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(Cc2ccc(NC(=O)Cc3ccc(-n4cnc5cccnc54)cc3Cl)cc2C(F)(F)F)CC1

HCID11993581

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-585e803aa7404d84be6b17ecffbfff8f
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

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