HRID174465

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(=O)Nc1cn2nc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(C(C)(C)O)cc4)c3)ccc2n1

HCID44125257

未命名化合物

结构：O=S(=O)(Nc1cc(Br)cnc1Cl)c1ccc(F)cc1Cl

HCID57749435

未命名化合物

结构：CC(=O)Nc1cn2nc(B3OC(C)(C)C(C)(C)O3)ccc2n1

HCID57749440

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1cn2nc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4Cl)c3)ccc2n1

HCID42628854

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e5641401e5e44031acf1b84c3b263aa7
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

[Br:57][c:58]1[cH:59][c:60]([NH:65][S:66](=[O:67])(=[O:68])[c:69]2[c:70]([Cl:76])[cH:71][c:72]([F:75])[cH:73][cH:74]2)[c:61]([Cl:64])[n:62][cH:63]1.[CH3:35][C:36]1([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41][B:42]([c:43]2[cH:44][cH:45][c:46]3[n:47]([n:48]2)[cH:49][c:50]([NH:52][C:53]([CH3:54])=[O:55])[n:51]3)[O:56]1.[Cl:1][c:2]1[n:3][cH:4][c:5](-[c:6]2[cH:7][cH:8][c:9]3[n:10]([cH:11][c:12]([NH:13][C:14](=[O:15])[CH3:16])[n:17]3)[n:18]2)[cH:19][c:20]1[NH:21][S:22]([c:23]1[cH:24][cH:25][c:26]([C:27]([OH:28])([CH3:29])[CH3:30])[cH:31][cH:32]1)(=[O:33])=[O:34]>>[c:43]1(-[c:58]2[cH:59][c:60]([NH:65][S:66](=[O:67])(=[O:68])[c:69]3[c:70]([Cl:76])[cH:71][c:72]([F:75])[cH:73][cH:74]3)[c:61]([Cl:64])[n:62][cH:63]2)[cH:44][cH:45][c:46]2[n:47]([n:48]1)[cH:49][c:50]([NH:52][C:53]([CH3:54])=[O:55])[n:51]2