HRID1118875

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81531

Diisopropylethylamine

C8H19N

结构：CN1C(=O)CCc2ccc(NC(=O)c3ccc(Cl)cc3NCCO)cc21

HCID57867998

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)CCc2ccc(NC(=O)c3ccc(Cl)cc3NCCOS(C)(=O)=O)cc21

HCID57867962

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0872b89b606f466cad49aee3eee47b0f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:36][S:37]([Cl:38])(=[O:39])=[O:40].[CH:27]([N:28]([CH:29]([CH3:30])[CH3:31])[CH2:32][CH3:33])([CH3:34])[CH3:35].[Cl:1][c:2]1[cH:3][c:4]([NH:23][CH2:24][CH2:25][OH:26])[c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][cH:11][c:12]3[c:17]([cH:18]2)[N:16]([CH3:19])[C:15](=[O:20])[CH2:14][CH2:13]3)[cH:21][cH:22]1.[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1>>[Cl:1][c:2]1[cH:3][c:4]([NH:23][CH2:24][CH2:25][O:26][S:37]([CH3:36])(=[O:39])=[O:40])[c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][cH:11][c:12]3[c:17]([cH:18]2)[N:16]([CH3:19])[C:15](=[O:20])[CH2:14][CH2:13]3)[cH:21][cH:22]1