HRID1210579

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID263

1-Butanol

C4H10O

HCID813

Potassium cation

K+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

结构：CS(=O)(=O)Nc1ccc(CNC(=O)C=Cc2ccc(C(F)(F)F)nc2Cl)cc1F

HCID72335664

未命名化合物

PRODUCTS

生成物

结构：CCCCOc1nc(C(F)(F)F)ccc1C=CC(=O)NCc1ccc(NS(C)(=O)=O)c(F)c1

HCID68782859

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a0a394667b74535921c2b895694bf0e
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

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