HRID1230973

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID7604

3-Aminoacetanilide

C8H10N2O

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID31374

Dimethylacetamide

C4H9NO

结构：COc1ccc(Cn2c(=O)c3c(OS(=O)(=O)C(F)(F)F)c(C)c(=O)n(C)c3n(-c3ccc(I)cc3F)c2=O)cc1

HCID59717176

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Cn2c(=O)c3c(Nc4cccc(NC(C)=O)c4)c(C)c(=O)n(C)c3n(-c3ccc(I)cc3F)c2=O)cc1

HCID59717402

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d50e0216b2934a0888df904b0c9d8325
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:52][N:53]([CH3:54])[C:55](=[O:56])[CH3:57].[CH3:66][OH:67].[F:1][c:2]1[c:3](-[n:9]2[c:10](=[O:40])[n:11]([CH2:31][c:32]3[cH:33][cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]3)[c:12](=[O:30])[c:13]3[c:14]2[n:15]([CH3:29])[c:16](=[O:28])[c:17]([CH3:27])[c:18]3[O:19][S:20]([C:21]([F:22])([F:23])[F:24])(=[O:25])=[O:26])[cH:4][cH:5][c:6]([I:8])[cH:7]1.[NH2:41][c:42]1[cH:43][c:44]([NH:45][C:46]([CH3:47])=[O:48])[cH:49][cH:50][cH:51]1.[n:58]1[c:59]([CH3:60])[cH:61][cH:62][cH:63][c:64]1[CH3:65]>>[F:1][c:2]1[c:3](-[n:9]2[c:10](=[O:40])[n:11]([CH2:31][c:32]3[cH:33][cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]3)[c:12](=[O:30])[c:13]3[c:14]2[n:15]([CH3:29])[c:16](=[O:28])[c:17]([CH3:27])[c:18]3[NH:41][c:42]2[cH:43][c:44]([NH:45][C:46]([CH3:47])=[O:48])[cH:49][cH:50][cH:51]2)[cH:4][cH:5][c:6]([I:8])[cH:7]1