HRID166215

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)OCc1ccc(Cl)cc1

HCID66607359

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)OCc1ccc(Cl)cc1

HCID86651133

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c416f230fd84245ae66d21a5cff27ef
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

[CH3:35][O:36][C:37]([CH2:38][c:39]1[cH:40][c:41]([O:49][S:50]([C:51]([F:52])([F:53])[F:54])(=[O:55])=[O:56])[cH:42][c:43]([C:45]([F:46])([F:47])[F:48])[cH:44]1)=[O:57].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][O:7][C:8]([N:9]([CH2:10][c:11]2[c:12]([B:21]3[O:22][C:23]([CH3:24])([CH3:25])[C:26]([CH3:27])([CH3:28])[O:29]3)[cH:13][cH:14][c:15]([C:17]([F:18])([F:19])[F:20])[cH:16]2)[CH2:30][CH3:31])=[O:32])[cH:33][cH:34]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][O:7][C:8]([N:9]([CH2:10][c:11]2[c:12](-[c:41]3[cH:40][c:39]([CH2:38][C:37]([O:36][CH3:35])=[O:57])[cH:44][c:43]([C:45]([F:46])([F:47])[F:48])[cH:42]3)[cH:13][cH:14][c:15]([C:17]([F:18])([F:19])[F:20])[cH:16]2)[CH2:30][CH3:31])=[O:32])[cH:33][cH:34]1