HRID2322838

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2757336

butane-2-sulfonyl chloride

C4H9ClO2S

结构：CC(C)S(=O)(=O)NCC1CN(S(=O)(=O)c2cccs2)CCN1c1ccc(C(C)(O)C(F)(F)F)cc1

HCID76462500

未命名化合物

PRODUCTS

生成物

结构：CCC(C)S(=O)(=O)NCC1CN(S(=O)(=O)c2cccs2)CCN1c1ccc(C(C)(O)C(F)(F)F)cc1

HCID77148310

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec03652a48094687871576455dd64287
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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