HRID123195

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCc1ncccc1-c1cccc(C(=O)CC(=O)OC(C)(C)C)c1

HCID69486782

未命名化合物

结构：CC(C)(C)OC(=O)Nc1cc(OCC(F)(F)F)c(C(F)(F)F)cc1N

HCID76849205

未命名化合物

PRODUCTS

生成物

结构：CCc1ncccc1-c1cccc(C(=O)CC(=O)Nc2cc(C(F)(F)F)c(OCC(F)(F)F)cc2NC(=O)OC(C)(C)C)c1

HCID86589400

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21b896d331a1443c9bb954d1c07ef13f
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]([NH2:24])[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F: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[c:42]([CH2:47][CH3:48])[n:43][cH:44][cH:45][cH:46]2)[cH:38][cH:39][cH:40]1)[CH3:49]>>[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[c:42]([CH2:47][CH3:48])[n:43][cH:44][cH:45][cH:46]3)[cH:38][cH:39][cH:40]2)[cH:10][c:11]([C:20]([F:21])([F:22])[F:23])[c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[cH:13]1)=[O:25]