HRID314005

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：CCOC1CN(c2cccc(C(=O)OC(C)(C)C)c2)CCC1NC(=O)c1nc(C(F)(F)F)c(CC)[nH]1

HCID68418710

未命名化合物

PRODUCTS

生成物

结构：CCOC1CN(c2cccc(C(=O)O)c2)CCC1NC(=O)c1nc(C(F)(F)F)c(CC)[nH]1

HCID68417677

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b52db68c99264311ba1c785344881428
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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