HRID142269

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC1(C)OB(c2ccc(C3(C(=O)NS(C)(=O)=O)CC3)cc2)OC1(C)C

HCID66577823

未命名化合物

结构：COc1cc(Br)ccc1-c1onc(C)c1NC(=O)OC(C)c1cccc(C(F)(F)F)c1

HCID77159707

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2ccc(C3(C(=O)NS(C)(=O)=O)CC3)cc2)ccc1-c1onc(C)c1NC(=O)OC(C)c1cccc(C(F)(F)F)c1

HCID75300807

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad75abbefa1a4cfd8d7ea46b56441cc0
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

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