HRID2331529

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID813

Potassium cation

K+

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

HCID3294148

Methyl 4-bromo-3-methylbenzoate

C9H9BrO2

HCID12478687

4-[(5-Bromofuran-2-yl)methyl]morpholine

C9H12BrNO2

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：COC(=O)c1ccc(-c2ccc(CN3CCOCC3)o2)c(C)c1

HCID67047545

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2bfe737f13854027a810f17c18d339eb
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:18][c:19]1[cH:20][cH:21][c:22]([CH2:24][N:25]2[CH2:26][CH2:27][O:28][CH2:29][CH2:30]2)[o:23]1.[Br:1][c:2]1[c:3]([CH3:12])[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1.[C:31](=[O:32])([O-:33])[O-:34].[C:44]([O-:45])(=[O:46])[CH3:47].[C:49]([O-:50])(=[O:51])[CH3:52].[CH3:14][C:15](=[O:16])[O-:17].[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[Cs+:35].[Cs+:36].[K+:13].[O:130]=[CH:131][N:132]([CH3:133])[CH3:134].[OH2:43].[Pd+2:48].[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[c:2]1(-[c:19]2[cH:20][cH:21][c:22]([CH2:24][N:25]3[CH2:26][CH2:27][O:28][CH2:29][CH2:30]3)[o:23]2)[c:3]([CH3:12])[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1