HRID1542537

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID519380

2-Amino-3-bromo-5-methylpyridine

C6H7BrN2

HCID58880166

未命名化合物

PRODUCTS

生成物

结构：Cc1cnc(Nc2cc(Cl)ccc2OCC2CCN(C)CC2)c(Br)c1

HCID58880152

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f21d220081f46b9abbe785dd9c12239
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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