HRID1558025

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID231828

2-Bromo-3-nitrotoluene

C7H6BrNO2

反应SMILES：CC1(C)C=C(B2OC(C)(C)C(C)(C)O2)CC(C)(C)C1

HCID23142059

4,4,5,5-Tetramethyl-2-(3,3,5,5-tetramethylcyclohex-1-en-1-yl)-1,3,2-dioxaborolane

C16H29BO2

反应SMILES：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

产物

反应SMILES：Cc1cccc([N+](=O)[O-])c1C1=CC(C)(C)CC(C)(C)C1

HCID23141717

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4a617b1579bb4074a101568a9cc481db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[Br:20][c:21]1[c:22]([CH3:30])[cH:23][cH:24][cH:25][c:26]1[N+:27](=[O:28])[O-:29].[CH3:123][CH2:124][O:125][C:126](=[O:127])[CH3:128].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([C:9]2=[CH:10][C:11]([CH3:17])([CH3:18])[CH2:12][C:13]([CH3:15])([CH3:16])[CH2:14]2)[O:19]1.[CH3:39][O:40][CH2:41][CH2:42][O:43][CH3:44].[K+:36].[K+:37].[K+:38].[OH2:122].[P:31]([O-:32])([O-:33])([O-:34])=[O:35].[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:9]1([c:21]2[c:22]([CH3:30])[cH:23][cH:24][cH:25][c:26]2[N+:27](=[O:28])[O-:29])=[CH:10][C:11]([CH3:17])([CH3:18])[CH2:12][C:13]([CH3:15])([CH3:16])[CH2:14]1