HRID1204567

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID18677606

2-Methoxy-5-(2,2,2-trifluoro-1,1-dimethylethyl)benzaldehyde

C12H13F3O2

结构：CC(C)(C)OC(=O)N1CCCC(NCc2cc(C(C)(F)F)ccc2OC(F)(F)F)C1c1ccccc1

HCID18677607

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C)(C)C(F)(F)F)cc1CNC1CCCN(C(=O)OC(C)(C)C)C1c1ccccc1

HCID18677634

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ae00904cdd54249830c02c3f77eb3f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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