HRID1562601

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID7375

3-(Trifluoromethyl)aniline

C7H6F3N

HCID67981

4-Fluoro-m-toluidine

C7H8FN

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)Nc3ccc(F)c(C)c3)cc2Nc2ncnc3ncccc23)cc1

HCID67041022

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-749320488970443b95dc6520c942dba9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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.[CH3:50][OH:51].[F:30][c:31]1[c:32]([CH3:38])[cH:33][c:34]([NH2:35])[cH:36][cH:37]1.[F:39][C:40]([F:41])([F:42])[c:43]1[cH:44][c:45]([NH2:49])[cH:46][cH:47][cH:48]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]([CH3:38])[c:31]([F:30])[cH:37][cH:36]3)[cH:17][cH:18]2)[cH:7][cH:8]1