HRID100772

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate Ion

CO3-2

HCID2773293

4-bromo-2,5-difluorobenzenesulfonamide

C6H4BrF2NO2S

HCID18367522

[4-(3-Hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]boronic acid

C16H20BNO4

HCID178420554

未命名化合物

PRODUCTS

产物

HCID20692758

2,5-Difluoro-4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]benzenesulfonamide

C22H22F2N2O4S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8645ab2a846a4bd2a88d60f89029b9b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[Br:23][c:24]1[cH:25][c:26]([F:35])[c:27]([S:31](=[O:32])(=[O:33])[NH2:34])[cH:28][c:29]1[F:30].[CH3:119][CH2:120][OH:121].[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41].[OH:1][CH:2]([CH:3]([O:4][c:5]1[cH:6][cH:7][c:8]([B:11]([OH:12])[OH:13])[cH:9][cH:10]1)[CH3:14])[CH2:15][CH2:16][c:17]1[cH:18][n:19][cH:20][cH:21][cH:22]1.[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([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)([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([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)[P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([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)[cH:117][cH:118]1>>[OH:1][CH:2]([CH:3]([O:4][c:5]1[cH:6][cH:7][c:8](-[c:24]2[cH:25][c:26]([F:35])[c:27]([S:31](=[O:32])(=[O:33])[NH2:34])[cH:28][c:29]2[F:30])[cH:9][cH:10]1)[CH3:14])[CH2:15][CH2:16][c:17]1[cH:18][n:19][cH:20][cH:21][cH:22]1