HRID153110

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13248993

Methyl 3-amino-1-methyl-1H-pyrazole-5-carboxylate

C6H9N3O2

结构：O=C(O)C(CC1CCCC1)n1ncc(Oc2ccccc2C(F)(F)F)cc1=O

HCID57919139

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(NC(=O)C(CC2CCCC2)n2ncc(Oc3ccccc3C(F)(F)F)cc2=O)nn1C

HCID57919328

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a48e36050d2544bfbb3da6d6792f722b
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

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