HRID319431

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6212

Chloroform

CHCl3

HCID9964

4-(Trifluoromethyl)aniline

C7H6F3N

HCID2724942

未命名化合物

结构：CCOC(=O)COc1cc(C)c(Sc2ccc(C=O)cc2C)cc1C

HCID20768120

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COc1cc(C)c(Sc2ccc(CNc3ccc(C(F)(F)F)cc3)cc2C)cc1C

HCID20768106

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-465bf64d8a2b448f8fb4036163a696ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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