HRID304288

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

2 次

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7370

Benzenesulfonamide

C6H7NO2S

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)O)c3)cc12

HCID59275424

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)NS(=O)(=O)c4ccccc4)c3)cc12

HCID59275194

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ae81d8a34cc4883a3933e2e9cfed330
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:30]([Cl:31])[CH2:32][Cl:33].[CH3:49][N:50]([c:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1)[CH3:57].[Cl:45][CH2:46][CH2:47][Cl:48].[ClH:34].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13]([NH:14][CH3:15])=[O:16])[cH:17][c:18](-[c:21]2[cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][cH:28][cH:29]2)[cH:19][cH:20]3)[cH:6][cH:7]1.[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[c:35]1([S:41](=[O:42])(=[O:43])[NH2:44])[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[o:9][c:10]3[c:11]([c:12]2[C:13]([NH:14][CH3:15])=[O:16])[cH:17][c:18](-[c:21]2[cH:22][c:23]([C:24](=[O:25])[NH:44][S:41]([c:35]4[cH:36][cH:37][cH:38][cH:39][cH:40]4)(=[O:42])=[O:43])[cH:27][cH:28][cH:29]2)[cH:19][cH:20]3)[cH:6][cH:7]1