HRID201131

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

HCID5224207

1-[2-Chloro-3-(trifluoromethyl)phenyl]methanamine

C8H7ClF3N

HCID53308487

未命名化合物

PRODUCTS

生成物

结构：O=c1[nH]nc(Cl)c2cc(NCc3cccc(C(F)(F)F)c3Cl)ccc12

HCID67416695

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2da546146604e49bfe0f59dece055f7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:5]([Cl:13])[n:6][nH:7][c:8](=[O:12])[c:9]2[cH:10][cH:11]1.[CH3:27][CH2:28][O:29][C:30]([CH3:31])=[O:32].[Cl:14][c:15]1[c:16]([CH2:17][NH2:18])[cH:19][cH:20][cH:21][c:22]1[C:23]([F:24])([F:25])[F:26].[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]>>[c:2]1([NH:18][CH2:17][c:16]2[c:15]([Cl:14])[c:22]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:20][cH:19]2)[cH:3][c:4]2[c:5]([Cl:13])[n:6][nH:7][c:8](=[O:12])[c:9]2[cH:10][cH:11]1