HRID701794

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID78605

4-Phenylcyclohexanone

C12H14O

结构：CC(C)NC(=O)n1nc(NCC(=O)NC2CNC2)c2cc(C(F)(F)F)ccc21

HCID58548858

未命名化合物

PRODUCTS

生成物

结构：CC(C)NC(=O)n1nc(NCC(=O)NC2CN(C3CCC(c4ccccc4)CC3)C2)c2cc(C(F)(F)F)ccc21

HCID54755924

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fea560d6be8643568e1b2fdd86d835cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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