HRID1136088

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2775588

3-methyl-5-(trifluoromethyl)benzoic Acid

C9H7F3O2

结构：CNC1CCN(C(=O)C2CCN(C(C)=O)CC2)CC1c1ccc(Cl)c(Cl)c1

HCID68930092

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCC(C(=O)N2CCC(N(C)C(=O)c3cc(C)cc(C(F)(F)F)c3)C(c3ccc(Cl)c(Cl)c3)C2)CC1

HCID77574281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fbdbf594e9874b1a9ef6a56b79b8e12e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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