HRID138002

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2759138

3-(4-fluorophenyl)-1H-pyrazol-5-amine

C9H8FN3

结构：CCOC(=O)C1CCC(NC(=O)c2cc(C(F)(F)F)ccc2Cl)CC1C

HCID57465893

未命名化合物

PRODUCTS

生成物

结构：CC1CC(NC(=O)c2cc(C(F)(F)F)ccc2Cl)CCC1CNc1cc(-c2ccc(F)cc2)[nH]n1

HCID57465896

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b0145209fb24e28a7563c3f220be095
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH:7]2[CH2:8][CH:9]([CH3:18])[CH:10]([C:13]([O:14][CH2:15][CH3:16])=[O:17])[CH2:11][CH2:12]2)[cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]1.[F:27][c:28]1[cH:29][cH:30][c:31](-[c:34]2[cH:35][c:36]([NH2:39])[n:37][nH:38]2)[cH:32][cH:33]1>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH:7]2[CH2:8][CH:9]([CH3:18])[CH:10]([CH2:13][NH:39][c:36]3[cH:35][c:34](-[c:31]4[cH:30][cH:29][c:28]([F:27])[cH:33][cH:32]4)[nH:38][n:37]3)[CH2:11][CH2:12]2)[cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]1