HRID320414

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2773751

3-Chloro-2-fluoro-5-(trifluoromethyl)benzoic acid

C8H3ClF4O2

结构：CC(C)(C)c1ccc(CNCCc2cccc(OCc3ccccc3)c2)cc1

HCID68562248

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(CN(CCc2cccc(OCc3ccccc3)c2)C(=O)c2cc(C(F)(F)F)cc(Cl)c2F)cc1

HCID68562844

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ccc096f423e49b8b83b1f88d592ca78
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

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