HRID94355

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12889

Benzoic acid, 3,5-bis(trifluoromethyl)-

C9H4F6O2

结构：CC(C)(C)OC(=O)N1CCC(N)C(c2cc(Cl)cc(Cl)c2)C1

HCID68302931

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(c2cc(Cl)cc(Cl)c2)C1

HCID89176282

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3701824785a045329a92e03d0b348a80
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:23][C:24]([c:25]1[cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][c:32]([C:34]([F:35])([F:36])[F:37])[cH:33]1)([F:38])[F:39].[NH2:1][CH:2]1[CH:3]([c:15]2[cH:16][c:17]([Cl:22])[cH:18][c:19]([Cl:21])[cH:20]2)[CH2:4][N:5]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:6][CH2:7]1>>[NH:1]([CH:2]1[CH:3]([c:15]2[cH:16][c:17]([Cl:22])[cH:18][c:19]([Cl:21])[cH:20]2)[CH2:4][N:5]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[CH2:6][CH2:7]1)[C:28]([c:27]1[cH:26][c:25]([C:24]([F:23])([F:38])[F:39])[cH:33][c:32]([C:34]([F:35])([F:36])[F:37])[cH:31]1)=[O:29]