HRID1125220

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID8900

Heptane

C7H16

HCID10009

3-Pyridinamine

C5H6N2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID4574913

未命名化合物

HCID14784150

1,3-Dibromo-5-(phenylmethoxy)benzene

C13H10Br2O

PRODUCTS

生成物

HCID50994027

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cef2a314c1954ae9a524c18e6c5dc7f8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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