HRID1228298

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate Ion

CO3-2

HCID61668

Boronic acid

H3BO2

HCID66831747

未命名化合物

HCID178420554

未命名化合物

PRODUCTS

产物

HCID66831997

5-(2,5-difluorobenzyl)-N-(2-(5-phenyl-1H-indol-3-yl)ethyl)isoxazole-3-carboxamide

C27H21F2N3O2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f40a5a703c5d486ca658eaca7a64e528
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[BH:1]([OH:2])[OH:3].[Br:10][c:11]1[cH:12][c:13]2[c:14]([CH2:20][CH2:21][NH:22][C:23](=[O:24])[c:25]3[n:26][o:27][c:28]([CH2:30][c:31]4[c:32]([F:38])[cH:33][cH:34][c:35]([F:37])[cH:36]4)[cH:29]3)[cH:15][nH:16][c:17]2[cH:18][cH:19]1.[CH3:45][O:46][CH2:47][CH2:48][O:49][CH3:50].[Na+:39].[Na+:40].[O-:41][C:42](=[O:43])[O-:44].[OH2:51].[cH:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1>>[c:4]1(-[c:11]2[cH:12][c:13]3[c:14]([CH2:20][CH2:21][NH:22][C:23](=[O:24])[c:25]4[n:26][o:27][c:28]([CH2:30][c:31]5[c:32]([F:38])[cH:33][cH:34][c:35]([F:37])[cH:36]5)[cH:29]4)[cH:15][nH:16][c:17]3[cH:18][cH:19]2)[cH:5][cH:6][cH:7][cH:8][cH:9]1