HRID1129821

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID2762707

2,6-Dimethoxypyridine-3-boronic acid

C7H10BNO4

结构：COCc1cc(NS(C)(=O)=O)ccc1C=Cc1cc(Br)cc(C(C)(C)C)c1OC

HCID67286867

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：COCc1cc(NS(C)(=O)=O)ccc1C=Cc1cc(-c2ccc(OC)nc2OC)cc(C(C)(C)C)c1OC

HCID68537391

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3644821c21254a61b66ccd946d634e17
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([C:26]([CH3:27])([CH3:28])[CH3:29])[c:5]([O:24][CH3:25])[c:6]([CH:8]=[CH:9][c:10]2[c:11]([CH2:21][O:22][CH3:23])[cH:12][c:13]([NH:16][S:17](=[O:18])(=[O:19])[CH3:20])[cH:14][cH:15]2)[cH:7]1.[C:43](=[O:44])([O-:45])[O-:46].[CH3:30][O:31][c:32]1[n:33][c:34]([O:41][CH3:42])[cH:35][cH:36][c:37]1[B:38]([OH:39])[OH:40].[CH3:49][OH:50].[Cl:51][CH2:52][Cl:53].[Na+:47].[Na+:48].[cH:54]1[cH:55][cH:56][c:57]([P:58]([Pd:59]([P:60]([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)[c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([P:79]([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)[c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[P:98]([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)[c:123]2[cH:124][cH:125][cH:126][cH:127][cH:128]2)[cH:129][cH:130]1>>[c:2]1(-[c:37]2[c:32]([O:31][CH3:30])[n:33][c:34]([O:41][CH3:42])[cH:35][cH:36]2)[cH:3][c:4]([C:26]([CH3:27])([CH3:28])[CH3:29])[c:5]([O:24][CH3:25])[c:6]([CH:8]=[CH:9][c:10]2[c:11]([CH2:21][O:22][CH3:23])[cH:12][c:13]([NH:16][S:17](=[O:18])(=[O:19])[CH3:20])[cH:14][cH:15]2)[cH:7]1