HRID297038

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

3 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2773228

(3-{[tert-Butoxy(hydroxy)methylidene]amino}phenyl)boronic acid

C11H16BNO4

结构：CC(C)(C)OC(=O)c1ccc(Br)cc1[N+](=O)[O-]

HCID26369829

tert-Butyl 4-bromo-2-nitrobenzoate

C11H12BrNO4

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)Nc1cccc(-c2ccc(C(=O)OC(C)(C)C)c([N+](=O)[O-])c2)c1

HCID66990036

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f63e25a17cf43efb78b52e1f9a5a6d6
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:24][c:25]1[cH:26][c:27]([N+:38](=[O:39])[O-:40])[c:28]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[cH:36][cH:37]1.[C:41](=[O:42])([OH:43])[O-:44].[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12](=[O:13])[NH:14][c:15]1[cH:16][c:17]([B:21]([OH:22])[OH:23])[cH:18][cH:19][cH:20]1.[CH3:123][CH2:124][O:125][C:126](=[O:127])[CH3:128].[CH3:129][O:130][CH2:131][CH2:132][O:133][CH3:134].[Na+:1].[Na+:2].[Na+:45].[O-:3][C:4](=[O:5])[O-:6].[OH2:135].[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:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12](=[O:13])[NH:14][c:15]1[cH:16][c:17](-[c:25]2[cH:26][c:27]([N+:38](=[O:39])[O-:40])[c:28]([C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[cH:36][cH:37]2)[cH:18][cH:19][cH:20]1