HRID100951

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

HCID16641178

未命名化合物

HCID67024304

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

C10H10Br2O

PRODUCTS

生成物

结构：CCOC(=O)COc1ccc(Sc2cc(Br)cc(OCC3CC3)c2)cc1C

HCID58368330

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b02328acbb14447bb1d3ebc1c3f57d87
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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