HRID687622

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID46739396

1,2,4-Trifluoro-5-(methanesulfonyl)benzene

C7H5F3O2S

HCID72260581

未命名化合物

PRODUCTS

生成物

结构：CC(CO)Oc1cc(Oc2cc(F)c(S(C)(=O)=O)cc2F)cc(C(=O)Nc2ccn(C)n2)c1

HCID69182436

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5ca7e7413a64c638f1a3b31336c5ae3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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