HRID178947

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID8471

Triethylamine

C6H15N

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID20768107

未命名化合物

HCID50852773

1,3-Dibromo-5-(2-methylpropoxy)benzene

C10H12Br2O

PRODUCTS

生成物

结构：CCOC(=O)COc1cc(C)c(Sc2cc(Br)cc(OCC(C)C)c2)cc1C

HCID57791907

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d2ec961099c409fb15a0c50ab362e99
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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