HRID171842

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7408

(1-Aminoethyl)benzene

C8H11N

结构：CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)C=O)cn1

HCID86600811

未命名化合物

PRODUCTS

生成物

结构：CCCC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)Nc1cn(C(C)(C)CNC(C)c2ccccc2)cn1

HCID11497153

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-70828e282fbd42a38c749ae3682a1ad7
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

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