HRID88595

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID69486994

未命名化合物

结构：Cc1cc(-c2cccc(C(=O)CC(=O)OC(C)(C)C)c2)cc(C)n1

HCID69489240

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(-c3cc(C)nc(C)c3)c2)cc1C(F)(F)F

HCID86589405

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed4fe963ace84527a2c954ac9b5f3129
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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](=[O:30])[c:31]1[cH:32][c:33](-[c:37]2[cH:38][c:39]([CH3:44])[n:40][c:41]([CH3:43])[cH:42]2)[cH:34][cH:35][cH:36]1)[CH3:45]>>[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](=[O:30])[c:31]2[cH:32][c:33](-[c:37]3[cH:38][c:39]([CH3:44])[n:40][c:41]([CH3:43])[cH:42]3)[cH:34][cH:35][cH:36]2)[cH:10][c:11]([C:16]([F:17])([F:18])[F:19])[c:12]([CH:14]=[CH2:15])[cH:13]1)=[O:21]