HRID313759

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：COc1ccccc1N(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)C(=O)c1ccc(N)cc1

HCID19690043

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1N(CCN1CCC(C(=O)c2ccc(F)cc2)CC1)C(=O)c1ccc(NS(C)(=O)=O)cc1

HCID19690022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90da7b35b3ee4bb7bf0339a0a7b36857
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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