HRID680942

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOc1cc(NC(=O)OC(C)(C)C)c(N)cc1C(F)(F)F

HCID67361421

未命名化合物

结构：Cc1ccncc1-c1cccc(C(=O)CC(=O)OC(C)(C)C)c1

HCID69487371

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(NC(=O)OC(C)(C)C)c(NC(=O)CC(=O)c2cccc(-c3cnccc3C)c2)cc1C(F)(F)F

HCID86589395

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-293c7b88afeb4ae8aa41697ba0ac1d10
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:21])[cH:10][c:11]([C:17]([F:18])([F:19])[F:20])[c:12]([O:14][CH2:15][CH3:16])[cH:13]1)=[O:22].[C:23]([CH3:25])([CH3:26])([O:27][C:28](=[O:24])[CH2:29][C:30](=[O:31])[c:32]1[cH:33][c:34](-[c:38]2[cH:39][n:40][cH:41][cH:42][c:43]2[CH3:44])[cH:35][cH:36][cH:37]1)[CH3:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:21][C:28](=[O:27])[CH2:29][C:30](=[O:31])[c:32]2[cH:33][c:34](-[c:38]3[cH:39][n:40][cH:41][cH:42][c:43]3[CH3:44])[cH:35][cH:36][cH:37]2)[cH:10][c:11]([C:17]([F:18])([F:19])[F:20])[c:12]([O:14][CH2:15][CH3:16])[cH:13]1)=[O:22]