HRID187370

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID7369

Benzenesulfonyl chloride

C6H5ClO2S

HCID8084

N,N,N',N'-Tetramethyltrimethylenediamine

C7H18N2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID57582949

未命名化合物

PRODUCTS

生成物

结构：NC(=O)C1CC(F)CN1C(=O)COS(=O)(=O)c1ccccc1

HCID174663623

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b82d9b99d1ab4c5f9338d190563efa85
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:14][N:15]([CH3:16])[CH2:17][CH2:18][CH2:19][N:20]([CH3:21])[CH3:22].[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:40][C:41]#[N:42].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[F:1][CH:2]1[CH2:3][CH:4]([C:11](=[O:12])[NH2:13])[N:5]([C:7]([CH2:8][OH:9])=[O:10])[CH2:6]1.[c:30]1([S:36](=[O:37])(=[O:38])[Cl:39])[cH:31][cH:32][cH:33][cH:34][cH:35]1>>[F:1][CH:2]1[CH2:3][CH:4]([C:11](=[O:12])[NH2:13])[N:5]([C:7]([CH2:8][O:9][S:36]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)(=[O:37])=[O:38])=[O:10])[CH2:6]1