HRID1128112

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CN(c1cc(NC(=O)OC(C)(C)C)c(N)cc1C(F)(F)F)C1CC1

HCID69489708

未命名化合物

HCID69592816

未命名化合物

PRODUCTS

生成物

结构：CN(c1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2ccnc(C#N)c2)cc1C(F)(F)F)C1CC1

HCID86586861

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fddb1795a3cf4410a688adb6869ca1d5
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])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:23])[cH:10][c:11]([C:19]([F:20])([F:21])[F:22])[c:12]([N:14]([CH3:15])[CH:16]2[CH2:17][CH2:18]2)[cH:13]1)=[O:24].[C:25]([CH3:27])([CH3:28])([O:29][C:30](=[O:26])[CH2:31][C:32](=[O:33])[c:34]1[cH:35][c:36]([C:40]#[N:41])[n:37][cH:38][cH:39]1)[CH3:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:23][C:30](=[O:29])[CH2:31][C:32](=[O:33])[c:34]2[cH:35][c:36]([C:40]#[N:41])[n:37][cH:38][cH:39]2)[cH:10][c:11]([C:19]([F:20])([F:21])[F:22])[c:12]([N:14]([CH3:15])[CH:16]2[CH2:17][CH2:18]2)[cH:13]1)=[O:24]