HRID187142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID17750492

(4-Fluoropyridin-2-yl)boronic acid

C5H5BFNO2

结构：CC(C)(C)OC(=O)COc1cccc2c1CCCC2NS(=O)(=O)c1ccc(Br)cc1

HCID59192605

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：CC(C)(C)OC(=O)COc1cccc2c1CCCC2NS(=O)(=O)c1ccc(-c2cc(F)ccn2)cc1

HCID59192625

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5bf18c315d624bc78e8436ae89feca83
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][O:8][c:9]1[cH:10][cH:11][cH:12][c:13]2[c:18]1[CH2:17][CH2:16][CH2:15][CH:14]2[NH:19][S:20](=[O:21])(=[O:22])[c:23]1[cH:24][cH:25][c:26]([Br:29])[cH:27][cH:28]1)=[O:30].[C:31](=[O:32])([O-:33])[O-:34].[CH2:47]1[O:48][CH2:49][CH2:50][O:51][CH2:52]1.[F:37][c:38]1[cH:39][c:40]([B:44]([OH:45])[OH:46])[n:41][cH:42][cH:43]1.[K+:35].[K+:36].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][O:8][c:9]1[cH:10][cH:11][cH:12][c:13]2[c:18]1[CH2:17][CH2:16][CH2:15][CH:14]2[NH:19][S:20](=[O:21])(=[O:22])[c:23]1[cH:24][cH:25][c:26](-[c:40]2[cH:39][c:38]([F:37])[cH:43][cH:42][n:41]2)[cH:27][cH:28]1)=[O:30]