HRID208579

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID57431445

4-[[4-(1-Methylethyl)-1-piperazinyl]methyl]-3-(trifluoromethyl)benzenamine

C15H22F3N3

HCID67021590

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CCN(Cc2ccc(NC(=O)Cc3ccc(-n4cnc5cccnc54)cc3Cl)cc2C(F)(F)F)CC1

HCID11993580

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88644a16d18b4a7f9284aa4ac4916177
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH:21]([CH3:22])([CH3:23])[N:24]1[CH2:25][CH2:26][N:27]([CH2:30][c:31]2[c:32]([C:38]([F:39])([F:40])[F:41])[cH:33][c:34]([NH2:37])[cH:35][cH:36]2)[CH2:28][CH2:29]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:37][c:34]2[cH:33][c:32]([C:38]([F:39])([F:40])[F:41])[c:31]([CH2:30][N:27]3[CH2:26][CH2:25][N:24]([CH:21]([CH3:22])[CH3:23])[CH2:29][CH2:28]3)[cH:36][cH:35]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