HRID1203710

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(CNCCc2ccc(OCc3ccccc3)c(C(C)(C)C)c2)cc1

HCID68562859

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(CN(CCc2ccc(OCc3ccccc3)c(C(C)(C)C)c2)C(=O)c2cc(C(F)(F)F)cc(Cl)c2F)cc1

HCID68564096

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c89ad0b3ebf849b98fb34791f5dffef0
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

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:29]([CH3:30])([CH3:31])[CH3:32])[cH:11][c:12]([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:13][cH:14]1.[Cl:33][c:34]1[c:35]([F:47])[c:36]([C:37](=[O:38])[OH:39])[cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[cH:42]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([C:29]([CH3:30])([CH3:31])[CH3:32])[cH:11][c:12]([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:37]([c:36]2[c:35]([F:47])[c:34]([Cl:33])[cH:42][c:41]([C:43]([F:44])([F:45])[F:46])[cH:40]2)=[O:38])[cH:13][cH:14]1