HRID2344192

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID23091087

未命名化合物

结构：COC(=O)C1=Cc2cc(Br)c(C)cc2N(CC(C)C)CCC1

HCID68650047

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：CCCCOCCOc1ccc(-c2cc3c(cc2C)N(CC(C)C)CCCC(C(=O)OC)=C3)cc1

HCID68650145

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7082b3b46dd74268b796608cff8efaad
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

[Br:1][c:2]1[c:3]([CH3:22])[cH:4][c:5]2[c:6]([cH:21]1)[CH:7]=[C:8]([C:17](=[O:18])[O:19][CH3:20])[CH2:9][CH2:10][CH2:11][N:12]2[CH2:13][CH:14]([CH3:15])[CH3:16].[C:41](=[O:42])([O-:43])[O-:44].[CH2:23]([CH2:24][CH2:25][CH3:26])[O:27][CH2:28][CH2:29][O:30][c:31]1[cH:32][cH:33][c:34]([O:37][B:38]([OH:39])[OH:40])[cH:35][cH:36]1.[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[CH3:54][CH2:55][OH:56].[K+:45].[K+:46].[OH2:57].[cH:58]1[cH:59][cH:60][c:61]([P:62]([Pd:63]([P:64]([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)[c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([P:83]([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)[P:102]([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)[c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[cH:133][cH:134]1>>[c:2]1(-[c:34]2[cH:33][cH:32][c:31]([O:30][CH2:29][CH2:28][O:27][CH2:23][CH2:24][CH2:25][CH3:26])[cH:36][cH:35]2)[c:3]([CH3:22])[cH:4][c:5]2[c:6]([cH:21]1)[CH:7]=[C:8]([C:17](=[O:18])[O:19][CH3:20])[CH2:9][CH2:10][CH2:11][N:12]2[CH2:13][CH:14]([CH3:15])[CH3:16]