HRID96727

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

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID2757335

tert-Butylsulfonamide

C4H11NO2S

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)C(C)(C)C)c3)cc12

HCID59275189

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-977e44775ee34a7d9188cf1a576df21f
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:35]([CH3:36])([CH3:37])([CH3:38])[S:39](=[O:40])(=[O:41])[NH2:42].[CH2:30]([Cl:31])[CH2:32][Cl:33].[CH3:47][N:48]([c:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1)[CH3:55].[Cl:43][CH2:44][CH2:45][Cl:46].[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:56]=[CH:57][N:58]([CH3:59])[CH3:60]>>[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:42][S:39]([C:35]([CH3:36])([CH3:37])[CH3:38])(=[O:40])=[O:41])[cH:27][cH:28][cH:29]2)[cH:19][cH:20]3)[cH:6][cH:7]1