HRID126305

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

HCID242819

6-Fluoronicotinic acid

C6H4FNO2

结构：O=C(Nc1ccc(C2CCNCC2)cc1)c1nc(-c2ccccc2)oc1C(F)(F)F

HCID52937157

未命名化合物

PRODUCTS

生成物

结构：O=C(O)c1ccc(N2CCC(c3ccc(NC(=O)c4nc(-c5ccccc5)oc4C(F)(F)F)cc3)CC2)nc1

HCID46833808

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30575394064f488cbe6a874172997f6d
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:41](=[O:42])([O-:43])[O-:44].[CH3:47][S:48]([CH3:49])=[O:50].[F:31][c:32]1[n:33][cH:34][c:35]([C:36](=[O:37])[OH:38])[cH:39][cH:40]1.[K+:45].[K+:46].[NH:1]1[CH2:2][CH2:3][CH:4]([c:7]2[cH:8][cH:9][c:10]([NH:13][C:14](=[O:15])[c:16]3[n:17][c:18](-[c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[o:19][c:20]3[C:21]([F:22])([F:23])[F:24])[cH:11][cH:12]2)[CH2:5][CH2:6]1>>[N:1]1([c:32]2[n:33][cH:34][c:35]([C:36](=[O:37])[OH:38])[cH:39][cH:40]2)[CH2:2][CH2:3][CH:4]([c:7]2[cH:8][cH:9][c:10]([NH:13][C:14](=[O:15])[c:16]3[n:17][c:18](-[c:25]4[cH:26][cH:27][cH:28][cH:29][cH:30]4)[o:19][c:20]3[C:21]([F:22])([F:23])[F:24])[cH:11][cH:12]2)[CH2:5][CH2:6]1