HRID685146

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7502

4-Vinylpyridine

C7H7N

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID95417

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

C17H14O

3 次

HCID14595221

5-Bromo-6-chloropyridin-3-amine

C5H4BrClN2

PRODUCTS

生成物

HCID73985723

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b2c7da405f2c4767b34cba1c11b69d7d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:108][CH2:109][O:110][C:111](=[O:112])[CH3:113].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH:32](=[CH2:33])[c:34]1[cH:35][cH:36][n:37][cH:38][cH:39]1.[NH2:1][c:2]1[cH:3][n:4][c:5]([Cl:9])[c:6]([Br:8])[cH:7]1.[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[O:54]=[C:55]([CH:56]=[CH:57][c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1)[CH:64]=[CH:65][c:66]1[cH:67][cH:68][cH:69][cH:70][cH:71]1.[O:72]=[C:73]([CH:74]=[CH:75][c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1)[CH:82]=[CH:83][c:84]1[cH:85][cH:86][cH:87][cH:88][cH:89]1.[O:90]=[C:91]([CH:92]=[CH:93][c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1)[CH:100]=[CH:101][c:102]1[cH:103][cH:104][cH:105][cH:106][cH:107]1.[Pd:52].[Pd:53].[c:10]1([CH3:11])[cH:12][cH:13][cH:14][cH:15][c:16]1[P:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][c:23]1[CH3:24])[c:25]1[cH:26][cH:27][cH:28][cH:29][c:30]1[CH3:31]>>[NH2:1][c:2]1[cH:3][n:4][c:5]([Cl:9])[c:6]([CH:33]=[CH:32][c:34]2[cH:35][cH:36][n:37][cH:38][cH:39]2)[cH:7]1