HRID108499

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66279

1-Propanesulfonyl chloride

C3H7ClO2S

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

HCID22048846

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf1325e1eda543f3b3b9f1ea28184079
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

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