HRID833508

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID16641178

未命名化合物

HCID67171483

1,3-Dibromo-5-(cyclopentylmethoxy)benzene

C12H14Br2O

PRODUCTS

生成物

结构：CCOC(=O)COc1ccc(Sc2cc(Br)cc(OCC3CCCC3)c2)cc1C

HCID57791902

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71587003f7bf40b896218a769979fddd
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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