HRID2143493

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

反应SMILES：CCOC(=O)CCNc1ccc(Cl)cc1C(=O)N(CCc1cccc(C(F)(F)F)c1)Cc1ccc(C(C)(C)C)cc1

HCID68700870

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)c1ccc(CN(CCc2cccc(C(F)(F)F)c2)C(=O)c2cc(Cl)ccc2NCCC(=O)O)cc1

HCID68702166

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d3bdc265fb43409faadb8f0bed856343
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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