HRID86798

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2759348

3-Hydroxy-5-(trifluoromethyl)thiophene-2-carboxylic acid

C6H3F3O3S

结构：COc1cccc(C(Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)C(C)N)c1

HCID69053285

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(C(Oc2ccc3c(cnn3-c3ccc(F)cc3)c2)C(C)NC(=O)c2sc(C(F)(F)F)cc2O)c1

HCID72258701

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d8c38c2657542c2986e771ff744a5d5
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

[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]3[cH:12][c:13]([O:17][CH:18]([CH:19]([CH3:20])[NH2:21])[c:22]4[cH:23][c:24]([O:28][CH3:29])[cH:25][cH:26][cH:27]4)[cH:14][cH:15][c:16]23)[cH:6][cH:7]1.[OH:30][c:31]1[c:32]([C:40](=[O:41])[OH:42])[s:33][c:34]([C:36]([F:37])([F:38])[F:39])[cH:35]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]3[cH:12][c:13]([O:17][CH:18]([CH:19]([CH3:20])[NH:21][C:40]([c:32]4[c:31]([OH:30])[cH:35][c:34]([C:36]([F:37])([F:38])[F:39])[s:33]4)=[O:41])[c:22]4[cH:23][c:24]([O:28][CH3:29])[cH:25][cH:26][cH:27]4)[cH:14][cH:15][c:16]23)[cH:6][cH:7]1