HRID1121617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22110111

4-(3-Methyl-1,2,4-oxadiazol-5-yl)benzoic acid

C10H8N2O3

结构：CN(C(=O)Cc1ccc(F)cc1)C1CNCC1c1ccc(Cl)c(Cl)c1

HCID67025826

未命名化合物

PRODUCTS

生成物

结构：Cc1noc(-c2ccc(C(=O)N3CC(c4ccc(Cl)c(Cl)c4)C(N(C)C(=O)Cc4ccc(F)cc4)C3)cc2)n1

HCID67026097

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-457f23fcd85d4fd09868bfd86c534ea1
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

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