HRID301401

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2773333

4-Bromo-2-fluorobenzeneboronic acid

C6H5BBrFO2

结构：CC(C)(C)OC(=O)N1CCC(COc2ccc(Br)nc2)CC1

HCID57930201

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)N1CCC(COc2ccc(-c3ccc(Br)cc3F)nc2)CC1

HCID66673150

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71d6f5bc577746cd994d80fd677fa6e0
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:12][c:13]1[cH:14][cH:15][c:16]([O:19][CH2:20][CH:21]2[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:25][CH2:26]2)[cH:17][n:18]1.[Br:1][c:2]1[cH:3][c:4]([F:11])[c:5]([B:8]([OH:9])[OH:10])[cH:6][cH:7]1.[C:34](=[O:35])([O-:36])[O-:37].[CH3:40][O:41][CH2:42][CH2:43][O:44][CH3:45].[Na+:38].[Na+:39].[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>>[Br:1][c:2]1[cH:3][c:4]([F:11])[c:5](-[c:13]2[cH:14][cH:15][c:16]([O:19][CH2:20][CH:21]3[CH2:22][CH2:23][N:24]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[CH2:25][CH2:26]3)[cH:17][n:18]2)[cH:6][cH:7]1