HRID108879

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID31374

Dimethylacetamide

C4H9NO

HCID2734262

N-(3-Aminophenyl)methanesulfonamide

C7H10N2O2S

结构：Cc1c(OS(=O)(=O)C(F)(F)F)c2c(=O)n(C3CC3)c(=O)n(-c3ccc(I)cc3F)c2n(C)c1=O

HCID59717263

未命名化合物

PRODUCTS

生成物

结构：Cc1c(Nc2cccc(NS(C)(=O)=O)c2)c2c(=O)n(C3CC3)c(=O)n(-c3ccc(I)cc3F)c2n(C)c1=O

HCID59717182

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ef0c2bac2ad455ba2f7072324cdb451
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

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