HRID298139

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCC1C(=O)N(C)c2cc(F)ccc2N1S(=O)(=O)c1ccc(O)cc1

HCID178437327

未命名化合物

结构：CCC1C(=O)N(CC)c2cc(F)ccc2N1S(=O)(=O)c1ccc(OC)cc1

HCID178437336

未命名化合物

PRODUCTS

生成物

结构：CCC1C(=O)N(CC)c2cc(F)ccc2N1S(=O)(=O)c1ccc(O)cc1

HCID178437335

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08989511a8bd46a087ce1a08172344b1
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])[N:3]1[C:4](=[O:27])[CH:5]([CH2:25][CH3:26])[N:6]([S:14](=[O:15])(=[O:16])[c:17]2[cH:18][cH:19][c:20]([O:23][CH3:24])[cH:21][cH:22]2)[c:7]2[cH:8][cH:9][c:10]([F:13])[cH:11][c:12]21.[CH2:28]([CH:29]1[N:30]([S:31]([c:32]2[cH:33][cH:34][c:35]([OH:36])[cH:37][cH:38]2)(=[O:39])=[O:40])[c:41]2[c:42]([cH:43][c:44]([F:45])[cH:46][cH:47]2)[N:48]([CH3:49])[C:50]1=[O:51])[CH3:52]>>[CH2:1]([CH3:2])[N:3]1[C:4](=[O:27])[CH:5]([CH2:25][CH3:26])[N:6]([S:14](=[O:15])(=[O:16])[c:17]2[cH:18][cH:19][c:20]([OH:23])[cH:21][cH:22]2)[c:7]2[cH:8][cH:9][c:10]([F:13])[cH:11][c:12]21