HRID318375

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2734346

3,5-Dimethylisoxazole-4-boronic acid

C5H8BNO3

结构：COC(=O)CNC(=O)c1c(O)c2ccc(Br)cc2n(C)c1=O

HCID54681697

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：COC(=O)CNC(=O)c1c(O)c2ccc(-c3c(C)noc3C)cc2n(C)c1=O

HCID59340101

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-977f788389b94c77a900b9f52d4af955
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([OH:22])[c:7]([C:14](=[O:15])[NH:16][CH2:17][C:18](=[O:19])[O:20][CH3:21])[c:8](=[O:13])[n:9]([CH3:12])[c:10]2[cH:11]1.[C:33](=[O:34])([O-:35])[O-:36].[CH3:23][c:24]1[n:25][o:26][c:27]([CH3:32])[c:28]1[B:29]([OH:30])[OH:31].[CH3:40][O:41][CH2:42][CH2:43][O:44][CH3:45].[Cl:123][CH:124]([Cl:125])[Cl:126].[ClH:39].[Na+:37].[Na+:38].[O:127]=[CH:128][N:129]([CH3:130])[CH3:131].[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([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)([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([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)[P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)([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)[cH:121][cH:122]1>>[c:2]1(-[c:28]2[c:24]([CH3:23])[n:25][o:26][c:27]2[CH3:32])[cH:3][cH:4][c:5]2[c:6]([OH:22])[c:7]([C:14](=[O:15])[NH:16][CH2:17][C:18](=[O:19])[O:20][CH3:21])[c:8](=[O:13])[n:9]([CH3:12])[c:10]2[cH:11]1