HRID137395

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

HCID12181

Methyl crotonate

C5H8O2

HCID23938

Palladium

2 次

HCID70622

2-Amino-5-bromopyridine

C5H5BrN2

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID95417

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

C17H14O

3 次

PRODUCTS

生成物

HCID69220377

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a503949f2a6740bbadd5e88c9f74cdc6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH:2]=[CH:3][CH3:4])(=[O:5])[O:6][CH3:7].[CH3:30][CH2:31][N:32]([CH2:33][CH3:34])[CH2:35][CH3:36].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH:58](=[CH:59][C:60]([CH:61]=[CH:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1)=[O:69])[c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[CH:76](=[CH:77][C:78]([CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)=[O:87])[c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[CH:94](=[CH:95][C:96]([CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1)=[O:105])[c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[NH2:37][c:38]1[n:39][cH:40][c:41]([Br:44])[cH:42][cH:43]1.[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[Pd:56].[Pd:57].[c:8]1([CH3:9])[cH:10][cH:11][cH:12][cH:13][c:14]1[P:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][c:21]1[CH3:22])[c:23]1[cH:24][cH:25][cH:26][cH:27][c:28]1[CH3:29]>>[C:1]([CH:2]=[C:3]([CH3:4])[c:41]1[cH:40][n:39][c:38]([NH2:37])[cH:43][cH:42]1)(=[O:5])[O:6][CH3:7]