HRID88928

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID7927

1,3-Dibromobenzene

C6H4Br2

HCID8028

Tetrahydrofuran

C4H8O

HCID8261

2-Butanone, 3-hydroxy-3-methyl-

C5H10O2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

PRODUCTS

生成物

HCID69374151

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd8e3faf745243d9adfbae0c6d485e08
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][cH:4][cH:5][c:6]([Br:7])[cH:8]1.[CH2:16]1[O:17][CH2:18][CH2:19][CH2:20]1.[Cl-:21].[NH4+:22].[O:25]=[C:26]([CH:27]=[CH:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)[CH:35]=[CH:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[O:43]=[C:44]([CH:45]=[CH:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1)[CH:53]=[CH:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[O:61]=[C:62]([CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1)[CH:71]=[CH:72][c:73]1[cH:74][cH:75][cH:76][cH:77][cH:78]1.[OH:9][C:10]([C:11]([CH3:12])=[O:13])([CH3:14])[CH3:15].[Pd:23].[Pd:24]>>[c:2]1([CH2:12][C:11]([C:10]([OH:9])([CH3:14])[CH3:15])=[O:13])[cH:3][cH:4][cH:5][c:6]([Br:7])[cH:8]1