HRID2343089

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

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID44119555

(4,4-Dimethylcyclohex-1-en-1-yl)boronic acid

C8H15BO2

HCID58754833

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：CC1(C)CC=C(c2cc(CCS(=O)(=O)NC(C)(C)C)ccc2N)CC1

HCID58754853

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0deabfdcce144f1bb84ab5e2ad4869f1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[CH2:9][CH2:10][c:11]1[cH:12][c:13]([Br:18])[c:14]([NH2:17])[cH:15][cH:16]1.[C:30](=[O:31])([O-:32])[O-:33].[CH3:19][C:20]1([CH3:29])[CH2:21][CH:22]=[C:23]([B:26]([OH:27])[OH:28])[CH2:24][CH2:25]1.[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[CH3:43][CH2:44][OH:45].[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[Na+:34].[Na+:35].[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([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)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([P:77]([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)[P:96]([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)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)[cH:127][cH:128]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[CH2:9][CH2:10][c:11]1[cH:12][c:13]([C:23]2=[CH:22][CH2:21][C:20]([CH3:19])([CH3:29])[CH2:25][CH2:24]2)[c:14]([NH2:17])[cH:15][cH:16]1