HRID94525

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2735732

4-Chloro-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl chloride

C9H7Cl2N3O

结构：CC(C)C(=O)Nc1cccc(C2CCN(CCC(N)c3ccccc3)CC2)c1

HCID22048665

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(C)c2ncc(C(=O)NC(CCN3CCC(c4cccc(NC(=O)C(C)C)c4)CC3)c3ccccc3)c(Cl)c12

HCID178433990

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4748c49a3d354e81902578e9d4102b19
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

[Cl:29][c:30]1[c:31]2[c:32]([n:33][cH:34][c:35]1[C:36](=[O:37])[Cl:38])[n:39]([CH3:43])[n:40][c:41]2[CH3:42].[NH2:1][CH:2]([CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][CH:8]([c:11]2[cH:12][c:13]([NH:17][C:18]([CH:19]([CH3:20])[CH3:21])=[O:22])[cH:14][cH:15][cH:16]2)[CH2:9][CH2:10]1)[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1>>[NH:1]([CH:2]([CH2:3][CH2:4][N:5]1[CH2:6][CH2:7][CH:8]([c:11]2[cH:12][c:13]([NH:17][C:18]([CH:19]([CH3:20])[CH3:21])=[O:22])[cH:14][cH:15][cH:16]2)[CH2:9][CH2:10]1)[c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)[C:36]([c:35]1[c:30]([Cl:29])[c:31]2[c:32]([n:33][cH:34]1)[n:39]([CH3:43])[n:40][c:41]2[CH3:42])=[O:37]