HRID2139575

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID58442320

未命名化合物

HCID58442345

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNC(C)(CNC(=O)c2nc(OC)c(C(F)(F)F)cc2N)C(F)(F)F)cc1

HCID58442332

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56d069a9f4c94a159f18b9fe7f736234
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[F:17][C:18]([C:19]([CH2:20][NH2:21])([NH:22][CH2:23][c:24]1[cH:25][cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]1)[CH3:32])([F:33])[F:34].[NH2:1][c:2]1[c:3]([C:14](=[O:15])[OH:16])[n:4][c:5]([O:12][CH3:13])[c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1>>[NH2:1][c:2]1[c:3]([C:14](=[O:16])[NH:21][CH2:20][C:19]([C:18]([F:17])([F:33])[F:34])([NH:22][CH2:23][c:24]2[cH:25][cH:26][c:27]([O:30][CH3:31])[cH:28][cH:29]2)[CH3:32])[n:4][c:5]([O:12][CH3:13])[c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1