HRID125477

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID252476

3-chloro-6-(methylsulfonyl)pyridazine

C5H5ClN2O2S

结构：COCC(C)Oc1cc(O)cc(-c2ccc(C3=NCC(C)O3)[nH]2)c1

HCID178495517

未命名化合物

PRODUCTS

生成物

结构：COCC(C)Oc1cc(Oc2ccc(S(C)(=O)=O)nn2)cc(-c2ccc(C3=NCC(C)O3)[nH]2)c1

HCID178495482

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5c8f290696f4df79b0ddf4f756df831
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:36](=[O:37])([O-:38])[O-:39].[CH3:12][O:13][CH2:14][CH:15]([O:16][c:17]1[cH:18][c:19]([OH:34])[cH:20][c:21](-[c:23]2[nH:24][c:25]([C:28]3=[N:32][CH2:31][CH:30]([CH3:33])[O:29]3)[cH:26][cH:27]2)[cH:22]1)[CH3:35].[CH3:43][C:44]#[N:45].[Cl:1][c:2]1[n:3][n:4][c:5]([S:8](=[O:9])(=[O:10])[CH3:11])[cH:6][cH:7]1.[Cs+:40].[Cs+:41].[OH2:42]>>[c:2]1([O:34][c:19]2[cH:18][c:17]([O:16][CH:15]([CH2:14][O:13][CH3:12])[CH3:35])[cH:22][c:21](-[c:23]3[nH:24][c:25]([C:28]4=[N:32][CH2:31][CH:30]([CH3:33])[O:29]4)[cH:26][cH:27]3)[cH:20]2)[n:3][n:4][c:5]([S:8](=[O:9])(=[O:10])[CH3:11])[cH:6][cH:7]1