HRID1134458

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID522269

4-Fluoro-3-(trifluoromethyl)benzaldehyde

C8H4F4O

HCID60628097

未命名化合物

PRODUCTS

生成物

结构：O=Cc1ccc(Oc2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)c(C(F)(F)F)c1

HCID86643290

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56829fe3f6d44c289ec9623f6c6245ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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