HRID205181

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1cncc(-c2cccc(C(=O)CC(=O)OC(C)(C)C)c2)n1

HCID69486780

未命名化合物

结构：Cc1cc(N)c(NC(=O)OC(C)(C)C)cc1C(F)(F)F

HCID69489396

未命名化合物

PRODUCTS

生成物

结构：Cc1cncc(-c2cccc(C(=O)CC(=O)Nc3cc(C)c(C(F)(F)F)cc3NC(=O)OC(C)(C)C)c2)n1

HCID86589311

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa13fb17a1ed407bb170ab9226e92eeb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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