HRID1552703

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID28486

Lithium ion

Li+

HCID95417

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

C17H14O

3 次

HCID3280088

未命名化合物

结构：COc1cc2nccc(Oc3ccc4cc(Br)ccc4c3F)c2cc1OC

HCID67520564

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COc1cc2nccc(Oc3ccc4cc(N)ccc4c3F)c2cc1OC

HCID67520360

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8398f699ab534a9199f26324d0b7065d
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

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