HRID164024

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID22143530

未命名化合物

HCID22143635

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(C)n(C)c2cc(Oc3ccnc4cc(C(=O)N(C)CCN(C)C)sc34)ccc12

HCID22143604

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-59814fc8675945f5b54790e5b43a28fb
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

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