HRID182824

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

HCID1049

Pyridine

C5H5N

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID2780719

4-chloro-3-(trifluoromethyl)benzenesulfonyl Chloride

C7H3Cl2F3O2S

HCID9898880

Methyl 3-aminopicolinate

C7H8N2O2

结构：Cc1cnc(C(=O)O)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1

HCID57870807

未命名化合物

结构：Cc1cnc(C#N)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1

HCID57870815

未命名化合物

PRODUCTS

生成物

结构：O=C(O)c1ncccc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1

HCID57870819

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-392676ec6e6148f389afd09e2d69a845
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:84]1[O:85][CH2:86][CH2:87][CH2:88]1.[CH3:16][O:17][C:18]([c:19]1[c:20]([NH2:21])[cH:22][cH:23][cH:24][n:25]1)=[O:26].[Cl:1][c:2]1[cH:3][cH:4][c:5]([S:6]([Cl:7])(=[O:8])=[O:9])[cH:10][c:11]1[C:12]([F:13])([F:14])[F:15].[Cl:27][c:28]1[cH:29][cH:30][c:31]([S:32]([NH:33][c:34]2[c:35]([C:36]#[N:37])[n:38][cH:39][c:40]([CH3:41])[cH:42]2)(=[O:43])=[O:44])[cH:45][c:46]1[C:47]([F:48])([F:49])[F:50].[Cl:51][c:52]1[c:53]([C:72]([F:73])([F:74])[F:75])[cH:54][c:55]([S:58](=[O:59])(=[O:60])[NH:61][c:62]2[c:63]([C:69](=[O:70])[OH:71])[n:64][cH:65][c:66]([CH3:68])[cH:67]2)[cH:56][cH:57]1.[Li+:77].[OH-:76].[cH:78]1[cH:79][cH:80][n:81][cH:82][cH:83]1>>[Cl:51][c:52]1[c:53]([C:72]([F:73])([F:74])[F:75])[cH:54][c:55]([S:58](=[O:59])(=[O:60])[NH:61][c:62]2[c:63]([C:69](=[O:70])[OH:71])[n:64][cH:65][cH:66][cH:67]2)[cH:56][cH:57]1