查数据/反应详情

HRID99849

反应详情

EQUATION

反应方程式

HRID 99849 的结构方程式

REACTANTS

反应物

2

结构：CC(C)(C)CN

2,2-Dimethyl-1-propylamine

C5H13N

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

未命名化合物

PRODUCTS

生成物

1

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

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1453972f3a8407ca1a3fb7094a8deff
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

[CH3:1][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.[CH3:30][C:31]([CH2:32][NH2:33])([CH3:34])[CH3:35]>>[CH3:1][C:2]([CH2:3][NH:33][CH2:32][C:31]([CH3:30])([CH3:34])[CH3:35])([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

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