HRID1145416

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID109029

4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid

C11H10N2O3

HCID68467642

未命名化合物

PRODUCTS

生成物

结构：CC1=NN(c2ccc(C(=O)Nc3ccc(N4CCC(CN5CCCC5C)C4)cc3C)cc2)C(=O)C1

HCID25265666

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f30c09f32ac48a38d599594f5cebe12
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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