HRID2321164

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID67361123

未命名化合物

结构：Cc1cc(-c2cccc(C(=O)CC(=O)OC(C)(C)C)c2)on1

HCID69592871

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2cccc(C(=O)CC(=O)Nc3cc(C(F)(F)F)c(N(C)CC(C)C)cc3NC(=O)OC(C)(C)C)c2)on1

HCID86586888

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7bc67fdb51814c4ebf68be036932e892
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:24])[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([N:14]([CH3:15])[CH2:16][CH:17]([CH3:18])[CH3:19])[cH:13]1)=[O:25].[C:26]([CH3:28])([CH3:29])([O:30][C:31](=[O:27])[CH2:32][C:33](=[O:34])[c:35]1[cH:36][c:37](-[c:41]2[cH:42][c:43]([CH3:46])[n:44][o:45]2)[cH:38][cH:39][cH:40]1)[CH3:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:24][C:31](=[O:30])[CH2:32][C:33](=[O:34])[c:35]2[cH:36][c:37](-[c:41]3[cH:42][c:43]([CH3:46])[n:44][o:45]3)[cH:38][cH:39][cH:40]2)[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([N:14]([CH3:15])[CH2:16][CH:17]([CH3:18])[CH3:19])[cH:13]1)=[O:25]