HRID92671

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID66773

2-Chloro-N-methylacetamide

C3H6ClNO

结构：CC(C)(C)C1C(O)=C(C2=NS(=O)(=O)c3c(O)cccc32)C(=O)N1Cc1ccc(F)cc1

HCID136400875

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)COc1cccc2c1S(=O)(=O)N=C2C1=C(O)C(C(C)(C)C)N(Cc2ccc(F)cc2)C1=O

HCID178485803

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2787211703ed4e57a9fcde126ea00474
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[C:6]([OH:31])=[C:7]([C:19]2=[N:20][S:21](=[O:29])(=[O:30])[c:22]3[c:23]2[cH:24][cH:25][cH:26][c:27]3[OH:28])[C:8](=[O:18])[N:9]1[CH2:10][c:11]1[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]1.[CH3:44][C:45](=[O:46])[CH3:47].[Cl:32][CH2:33][C:34](=[O:35])[NH:36][CH3:37].[K+:38].[K+:39].[O-:40][C:41]([O-:42])=[O:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[C:6]([OH:31])=[C:7]([C:19]2=[N:20][S:21](=[O:29])(=[O:30])[c:22]3[c:23]2[cH:24][cH:25][cH:26][c:27]3[O:28][CH2:33][C:34](=[O:35])[NH:36][CH3:37])[C:8](=[O:18])[N:9]1[CH2:10][c:11]1[cH:12][cH:13][c:14]([F:17])[cH:15][cH:16]1