HRID108003

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID961

Hydroxide

HO-

2 次

HCID962

Water

H2O

8 次

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID104810

Barium (II) ion

Ba+2

HCID2734215

2-(Di-tert-butylphosphino)biphenyl

C20H27P

HCID2773548

Boronic acid, B-(2-nitrophenyl)-

C6H6BNO4

HCID12154093

未命名化合物

PRODUCTS

生成物

结构：CC1(C)C=C(c2ccccc2[N+](=O)[O-])C(=O)C(C)(C)C1

HCID12154094

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b8d05fcf50b496897eb7cdd658f9bac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Ba+2:55].[C:25]([P:26]([C:27]([CH3:28])([CH3:29])[CH3:30])[c:31]1[cH:32][cH:33][cH:34][cH:35][c:36]1-[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)([CH3:43])([CH3:44])[CH3:45].[I:1][C:2]1=[CH:7][C:6]([CH3:8])([CH3:9])[CH2:5][C:4]([CH3:10])([CH3:11])[C:3]1=[O:12].[N+:13](=[O:14])([O-:15])[c:16]1[c:17]([B:22]([OH:23])[OH:24])[cH:18][cH:19][cH:20][cH:21]1.[O:59]=[C:60]([CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)[CH:69]=[CH:70][c:71]1[cH:72][cH:73][cH:74][cH:75][cH:76]1.[O:77]=[C:78]([CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)[CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[O:95]=[C:96]([CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1)[CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1.[OH-:54].[OH-:56].[OH2:46].[OH2:47].[OH2:48].[OH2:49].[OH2:50].[OH2:51].[OH2:52].[OH2:53].[Pd:57].[Pd:58]>>[C:2]1([c:17]2[c:16]([N+:13](=[O:14])[O-:15])[cH:21][cH:20][cH:19][cH:18]2)=[CH:7][C:6]([CH3:8])([CH3:9])[CH2:5][C:4]([CH3:10])([CH3:11])[C:3]1=[O:12]