HRID126424

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID11561

Benzene, 1-bromo-3-iodo-

C6H4BrI

HCID21625

Ethyl 3-mercaptopropionate

C5H10O2S

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

PRODUCTS

生成物

HCID62805311

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68f928e6c38d4ed79f428b46414682fb
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]([I:8])[cH:5][cH:6][cH:7]1.[CH3:17][N:18]([CH3:19])[CH:20]=[O:21].[CH3:22][CH2:23][N:24]([CH2:25][CH3:26])[CH2:27][CH3:28].[CH3:29][CH2:30][O:31][C:32](=[O:33])[CH3:34].[O:37]=[C:38]([CH:39]=[CH:40][c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[CH:47]=[CH:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1.[O:55]=[C:56]([CH:57]=[CH:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1)[CH:65]=[CH:66][c:67]1[cH:68][cH:69][cH:70][cH:71][cH:72]1.[O:73]=[C:74]([CH:75]=[CH:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1)[CH:83]=[CH:84][c:85]1[cH:86][cH:87][cH:88][cH:89][cH:90]1.[Pd:35].[Pd:36].[SH:9][CH2:10][CH2:11][C:12](=[O:13])[O:14][CH2:15][CH3:16]>>[Br:1][c:2]1[cH:3][c:4]([S:9][CH2:10][CH2:11][C:12](=[O:13])[O:14][CH2:15][CH3:16])[cH:5][cH:6][cH:7]1