HRID146799

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6342

Acetonitrile

C2H3N

HCID6586

Methyl chlorocarbonate

C2H3ClO2

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：CS(=O)(=O)c1ccc(-c2cc(N)sc2-c2ccc(F)cc2)cc1

HCID10497855

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Nc1cc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)s1

HCID10669009

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e99a391b605946da84c46f93ab74b8de
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

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