HRID1230014

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

结构：CCS(=O)(=O)c1ccc(Nc2cc(-c3cccc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3COC(C)=O)nn(C)c2=O)nc1

HCID66742774

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)c1ccc(Nc2cc(-c3cccc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)nn(C)c2=O)nc1

HCID56655668

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50db29d6c8b84a51aa9f77a96bbddafb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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