HRID209940

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID3776

Isopropanol

C3H8O

HCID12684258

5-Bromopyridine-3-sulfonamide

C5H5BrN2O2S

结构：Cc1nc(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)cc3[nH]ncc23)cs1

HCID58255772

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：Cc1nc(C(=O)Nc2cc(-c3cncc(S(N)(=O)=O)c3)cc3[nH]ncc23)cs1

HCID44540127

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60c0e2eff62a4d8ab8fc785791d46d8e
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

[Br:28][c:29]1[cH:30][c:31]([S:35](=[O:36])(=[O:37])[NH2:38])[cH:32][n:33][cH:34]1.[C:43](=[O:44])([OH:45])[O-:46].[CH3:1][c:2]1[s:3][cH:4][c:5]([C:7](=[O:8])[NH:9][c:10]2[c:11]3[cH:12][n:13][nH:14][c:15]3[cH:16][c:17]([B:19]3[O:20][C:21]([CH3:22])([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27]3)[cH:18]2)[n:6]1.[CH:39]([OH:40])([CH3:41])[CH3:42].[Na+: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>>[CH3:1][c:2]1[s:3][cH:4][c:5]([C:7](=[O:8])[NH:9][c:10]2[c:11]3[cH:12][n:13][nH:14][c:15]3[cH:16][c:17](-[c:29]3[cH:30][c:31]([S:35](=[O:36])(=[O:37])[NH2:38])[cH:32][n:33][cH:34]3)[cH:18]2)[n:6]1