HRID124084

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2736319

3,5-dimethylisoxazole-4-sulfonyl chloride

C5H6ClNO3S

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：Cc1noc(C)c1S(=O)(=O)NC(CCN1CCC(c2cccc(NC(=O)C(C)C)c2)CC1)c1ccccc1

HCID22049538

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6c9450081b2a42ed9d45e0262731d8d0
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]1[n:3][o:4][c:5]([CH3:11])[c:6]1[S:7](=[O:8])(=[O:9])[Cl:10].[NH2:12][CH:13]([CH2:14][CH2:15][N:16]1[CH2:17][CH2:18][CH:19]([c:22]2[cH:23][c:24]([NH:28][C:29]([CH:30]([CH3:31])[CH3:32])=[O:33])[cH:25][cH:26][cH:27]2)[CH2:20][CH2:21]1)[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[CH3:1][c:2]1[n:3][o:4][c:5]([CH3:11])[c:6]1[S:7](=[O:8])(=[O:9])[NH:12][CH:13]([CH2:14][CH2:15][N:16]1[CH2:17][CH2:18][CH:19]([c:22]2[cH:23][c:24]([NH:28][C:29]([CH:30]([CH3:31])[CH3:32])=[O:33])[cH:25][cH:26][cH:27]2)[CH2:20][CH2:21]1)[c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1