HRID184855

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID608099

4-Bromo-2-nitrobenzaldehyde

C7H4BrNO3

HCID2773571

[4-(Pyrrolidine-1-carbonyl)phenyl]boronic acid

C11H14BNO3

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：O=Cc1ccc(-c2ccc(C(=O)N3CCCC3)cc2)cc1[N+](=O)[O-]

HCID86652678

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a943872fe652465192d13138e50f179c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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