HRID1563817

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)CC(=O)c1cccc(-c2cccnc2)c1

HCID11266473

未命名化合物

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

HCID69486994

未命名化合物

PRODUCTS

生成物

结构：C=Cc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-c3cccnc3)c2)cc1C(F)(F)F

HCID86589378

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6042ebc213284172851a92d71448cd19
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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