HRID1146559

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3862902

cyclohexen-1-ylboronic acid

C6H11BO2

结构：CN1CCN(c2ccc([N+](=O)[O-])c(Br)c2)CC1

HCID11781541

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：CN1CCN(c2ccc([N+](=O)[O-])c(C3=CCCCC3)c2)CC1

HCID59128580

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b01bce5db294c9bae4e5ec8a8ea835a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([N:11]2[CH2:12][CH2:13][N:14]([CH3:17])[CH2:15][CH2:16]2)[cH:5][cH:6][c:7]1[N+:8](=[O:9])[O-:10].[C:18]1([B:24]([OH:25])[OH:26])=[CH:19][CH2:20][CH2:21][CH2:22][CH2:23]1.[cH:27]1[cH:28][cH:29][c:30]([P:31]([Pd:32]([P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([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)([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)[cH:102][cH:103]1>>[c:2]1([C:18]2=[CH:19][CH2:20][CH2:21][CH2:22][CH2:23]2)[cH:3][c:4]([N:11]2[CH2:12][CH2:13][N:14]([CH3:17])[CH2:15][CH2:16]2)[cH:5][cH:6][c:7]1[N+:8](=[O:9])[O-:10]