HRID2329081

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)c1cc(NC(=O)OCC(Cl)(Cl)Cl)n(CCO[Si](C)(C)C(C)(C)C)n1

HCID68542210

未命名化合物

结构：CS(=O)(=O)c1ccc(-c2ccn3c(-c4ccc(CN)cc4)cnc3c2)cc1

HCID68546107

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(NC(=O)NCc2ccc(-c3cnc4cc(-c5ccc(S(C)(=O)=O)cc5)ccn34)cc2)n(CCO[Si](C)(C)C(C)(C)C)n1

HCID68544960

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-54bbac9bfddf460ba92f9d8dba025e6e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][c:13]3[n:14]([cH:15][cH:16]2)[c:17](-[c:20]2[cH:21][cH:22][c:23]([CH2:24][NH2:25])[cH:26][cH:27]2)[cH:18][n:19]3)[cH:9][cH:10]1.[Cl:28][C:29]([Cl:30])([Cl:53])[CH2:54][O:31][C:32]([NH:33][c:34]1[n:35]([CH2:43][CH2:44][O:45][Si:46]([CH3:47])([CH3:48])[C:49]([CH3:50])([CH3:51])[CH3:52])[n:36][c:37]([C:39]([CH3:40])([CH3:41])[CH3:42])[cH:38]1)=[O:55]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][c:13]3[n:14]([cH:15][cH:16]2)[c:17](-[c:20]2[cH:21][cH:22][c:23]([CH2:24][NH:25][C:32](=[O:31])[NH:33][c:34]4[n:35]([CH2:43][CH2:44][O:45][Si:46]([CH3:47])([CH3:48])[C:49]([CH3:50])([CH3:51])[CH3:52])[n:36][c:37]([C:39]([CH3:40])([CH3:41])[CH3:42])[cH:38]4)[cH:26][cH:27]2)[cH:18][n:19]3)[cH:9][cH:10]1