HRID100254

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID6115

Aniline

C6H7N

结构：CCOC(=O)CC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

HCID13469151

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C=C(Nc1ccccc1)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

HCID70489003

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37920181c92a4f699ff991938e4bb8f6
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]([c:3]1[cH:4][cH:5][c:6]([O:7][c:8]2[cH:9][cH:10][c:11]([O:12][CH:13]([C:14]([CH2:15][C:16](=[O:17])[O:18][CH2:19][CH3:20])=[O:21])[CH3:22])[cH:23][cH:24]2)[cH:25][cH:26]1)([F:27])[F:28].[NH2:29][c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[cH:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([O:7][c:8]2[cH:9][cH:10][c:11]([O:12][CH:13]([C:14](=[CH:15][C:16](=[O:17])[O:18][CH2:19][CH3:20])[NH:29][c:30]3[cH:31][cH:32][cH:33][cH:34][cH:35]3)[CH3:22])[cH:23][cH:24]2)[cH:25][cH:26]1)([F:27])[F:28]