HRID291984

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID40418616

3-Bromo-2-fluoro-6-methylpyridine

C6H5BrFN

结构：CC(C)S(=O)(=O)NC1Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C1

HCID46899971

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3)c(F)n1

HCID178423668

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-91f0d1e1d8e44642b7bb369dd03a3a7e
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

[Br:26][c:27]1[c:28]([F:34])[n:29][c:30]([CH3:33])[cH:31][cH:32]1.[C:35](=[O:36])([O-:37])[O-:38].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][c:11]3[c:15]([cH:16][cH:17]2)[CH2:14][CH:13]([NH:18][S:19](=[O:20])(=[O:21])[CH:22]([CH3:23])[CH3:24])[CH2:12]3)[O:25]1.[Na+:39].[Na+:40].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1.[OH2:47].[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124]1>>[c:9]1(-[c:27]2[c:28]([F:34])[n:29][c:30]([CH3:33])[cH:31][cH:32]2)[cH:10][c:11]2[c:15]([cH:16][cH:17]1)[CH2:14][CH:13]([NH:18][S:19](=[O:20])(=[O:21])[CH:22]([CH3:23])[CH3:24])[CH2:12]2