HRID141402

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCN(Cc1cc(C(F)(F)F)ccc1B1OC(C)(C)C(C)(C)O1)C(=O)C1CC1

HCID66607375

未命名化合物

结构：COC(=O)Cc1cc(OS(=O)(=O)C(F)(F)F)cc(C(F)(F)F)c1

HCID86651106

未命名化合物

PRODUCTS

生成物

结构：CCN(Cc1cc(C(F)(F)F)ccc1-c1cc(CC(=O)OC)cc(C(F)(F)F)c1)C(=O)C1CC1

HCID86651129

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22883a3bc6d441a9b85b509cddd4ec2b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]([CH3:2])[N:3]([C:4](=[O:5])[CH:6]1[CH2:7][CH2:8]1)[CH2:9][c:10]1[c:11]([B:20]2[O:21][C:22]([CH3:23])([CH3:24])[C:25]([CH3:26])([CH3:27])[O:28]2)[cH:12][cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]1.[CH3:29][O:30][C:31]([CH2:32][c:33]1[cH:34][c:35]([O:43][S:44]([C:45]([F:46])([F:47])[F:48])(=[O:49])=[O:50])[cH:36][c:37]([C:39]([F:40])([F:41])[F:42])[cH:38]1)=[O:51]>>[CH2:1]([CH3:2])[N:3]([C:4](=[O:5])[CH:6]1[CH2:7][CH2:8]1)[CH2:9][c:10]1[c:11](-[c:35]2[cH:34][c:33]([CH2:32][C:31]([O:30][CH3:29])=[O:51])[cH:38][c:37]([C:39]([F:40])([F:41])[F:42])[cH:36]2)[cH:12][cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]1