HRID700023

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID57787996

未命名化合物

HCID135860800

未命名化合物

PRODUCTS

生成物

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

HCID57788042

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-54b4e5319edd469ba620f2645a785842
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

[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])[CH2:34][CH3:35])[cH:23][cH:24][cH:25]1.[C:36](=[O:37])([O-:38])[O-:39].[CH3:42][C:43](=[O:44])[CH3:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[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.[K+:40].[K+:41]>>[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])[CH2:34][CH3:35])[cH:23][cH:24][cH:25]3)[c:12]([O:15][CH3:16])[cH:13][c:14]12