HRID2123438

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID7375

3-(Trifluoromethyl)aniline

C7H6F3N

HCID17818

5-Amino-2-methylphenol

C7H9NO

结构：COc1ccc(Sc2ccc(C(=O)Cl)cc2Nc2ncnc3nc(C(C)C)ccc23)cc1

HCID86615550

未命名化合物

结构：COc1ccc(Sc2ccc(C(=O)Cl)cc2Nc2ncnc3ncccc23)cc1

HCID86615561

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(Sc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2Nc2ncnc3ncccc23)cc1

HCID67040432

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8753d0b8477e4747a145af105bf37766
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([S:9][c:10]2[c:11]([NH:19][c:20]3[c:21]4[c:22]([n:23][cH:24][n:25]3)[n:26][cH:27][cH:28][cH:29]4)[cH:12][c:13]([C:14](=[O:15])[Cl:16])[cH:17][cH:18]2)[cH:7][cH:8]1.[CH3:82][OH:83].[CH:50]([c:51]1[cH:52][cH:53][c:54]2[c:55]([NH:56][c:57]3[cH:58][c:59]([C:72]([Cl:73])=[O:74])[cH:60][cH:61][c:62]3[S:63][c:64]3[cH:65][cH:66][c:67]([O:68][CH3:69])[cH:70][cH:71]3)[n:75][cH:76][n:77][c:78]2[n:79]1)([CH3:80])[CH3:81].[F:30][C:31]([c:32]1[cH:33][c:34]([NH2:35])[cH:36][cH:37][cH:38]1)([F:39])[F:40].[NH2:41][c:42]1[cH:43][c:44]([OH:45])[c:46]([CH3:47])[cH:48][cH:49]1>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([S:9][c:10]2[c:11]([NH:19][c:20]3[c:21]4[c:22]([n:23][cH:24][n:25]3)[n:26][cH:27][cH:28][cH:29]4)[cH:12][c:13]([C:14](=[O:15])[NH:35][c:34]3[cH:33][c:32]([C:31]([F:30])([F:39])[F:40])[cH:38][cH:37][cH:36]3)[cH:17][cH:18]2)[cH:7][cH:8]1