HRID305449

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID57788029

未命名化合物

HCID135860800

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)N=S(C)(=O)c1cccc(COc2cc3ncnc(NC(C)C)c3cc2OC)c1

HCID57787986

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e104b8fdced49db9e138e82dba39098
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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