HRID1212692

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

HCID22143560

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(C)n(C)c2cc(Oc3ccnc4cc(C(=O)N5CCC(N(C)C)C5)sc34)ccc12

HCID178485489

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-095f5d3e931e46d5ac46fb61937cefe9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:37](=[O:38])([O-:39])[O-:40].[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]1[CH2:14][CH:15]([N:18]([CH3:19])[CH3:20])[CH2:16][CH2:17]1)[s:10]2.[Cs+:41].[Cs+:42].[OH:21][c:22]1[cH:23][cH:24][c:25]2[c:26]([C:33](=[O:34])[NH:35][CH3:36])[c:27]([CH3:32])[n:28]([CH3:31])[c:29]2[cH:30]1>>[c:2]1([O:21][c:22]2[cH:23][cH:24][c:25]3[c:26]([C:33](=[O:34])[NH:35][CH3:36])[c:27]([CH3:32])[n:28]([CH3:31])[c:29]3[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]1[CH2:14][CH:15]([N:18]([CH3:19])[CH3:20])[CH2:16][CH2:17]1)[s:10]2