HRID86620

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID697776

3-chloro-4-fluoro-N,N-dimethylbenzenesulfonamide

C8H9ClFNO2S

结构：COCC(C)Oc1cc(O)cc(C(=O)Nc2ccn(C)n2)c1

HCID67487323

未命名化合物

PRODUCTS

生成物

结构：COCC(C)Oc1cc(Oc2ccc(S(=O)(=O)N(C)C)cc2Cl)cc(C(=O)Nc2ccn(C)n2)c1

HCID178495490

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-def80f5d5ef54b39b95a382597b23daa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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