HRID112404

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID72879

Methanesulfonamide

CH5NO2S

结构：CC(Oc1ccc(-c2nc(-c3cccc4c3ccn4CC(=O)O)no2)cc1C(F)(F)F)C(F)(F)F

HCID59214325

未命名化合物

PRODUCTS

生成物

结构：CC(Oc1ccc(-c2nc(-c3cccc4c3ccn4CC(=O)NS(C)(=O)=O)no2)cc1C(F)(F)F)C(F)(F)F

HCID178466121

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a101d00cdfe54283ad187371517cb897
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:36]([n:37]1[cH:38][cH:39][n:40][cH:41]1)([n:42]1[cH:43][cH:44][n:45][cH:46]1)=[O:47].[CH3:48][S:49](=[O:50])(=[O:51])[NH2:52].[F:1][C:2]([c:3]1[cH:4][c:5](-[c:16]2[n:17][c:18](-[c:21]3[c:22]4[cH:23][cH:24][n:25]([CH2:30][C:31](=[O:32])[OH:33])[c:26]4[cH:27][cH:28][cH:29]3)[n:19][o:20]2)[cH:6][cH:7][c:8]1[O:9][CH:10]([C:11]([F:12])([F:13])[F:14])[CH3:15])([F:34])[F:35].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58].[OH2:53]>>[F:1][C:2]([c:3]1[cH:4][c:5](-[c:16]2[n:17][c:18](-[c:21]3[c:22]4[cH:23][cH:24][n:25]([CH2:30][C:31](=[O:32])[NH:52][S:49]([CH3:48])(=[O:50])=[O:51])[c:26]4[cH:27][cH:28][cH:29]3)[n:19][o:20]2)[cH:6][cH:7][c:8]1[O:9][CH:10]([C:11]([F:12])([F:13])[F:14])[CH3:15])([F:34])[F:35]