HRID171395

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(CN)ccc23)C1(C)C

HCID24768511

未命名化合物

PRODUCTS

生成物

结构：CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(CNS(C)(=O)=O)ccc23)C1(C)C

HCID67269968

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40ca5ac969d84162afde70b12a595298
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:28][S:29]([Cl:30])(=[O:31])=[O:32].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[NH2:1][CH2:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([C:19](=[O:20])[CH:21]3[C:22]([CH3:26])([CH3:27])[C:23]3([CH3:24])[CH3:25])[cH:8][n:9]([CH2:12][CH:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[c:10]2[cH:11]1>>[NH:1]([CH2:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([C:19](=[O:20])[CH:21]3[C:22]([CH3:26])([CH3:27])[C:23]3([CH3:24])[CH3:25])[cH:8][n:9]([CH2:12][CH:13]3[CH2:14][CH2:15][O:16][CH2:17][CH2:18]3)[c:10]2[cH:11]1)[S:29]([CH3:28])(=[O:31])=[O:32]