HRID1541587

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID6397

Chlorotrimethylsilane

C3H9ClSi

HCID7839

1,2-Dibromoethane

C2H4Br2

HCID8028

Tetrahydrofuran

C4H8O

HCID11776

Triphenylphosphine

C18H15P

HCID23938

Palladium

HCID23994

Zinc

HCID95417

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

C17H14O

2 次

HCID18434354

未命名化合物

HCID85787589

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(=CC1CCCC1)c1ccc(-n2nnnc2C)c(Cl)c1

HCID69691330

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60fc92730333485cbcc573a41ce9074c
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:1][CH2:2][CH2:3][Br:4].[CH3:10][O:11][C:12]([C:13](=[CH:14][CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19]1)[I:20])=[O:21].[CH3:5][Si:6]([Cl:7])([CH3:8])[CH3:9].[CH:64](=[CH:65][C:66]([CH:67]=[CH:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1)=[O:75])[c:76]1[cH:77][cH:78][cH:79][cH:80][cH:81]1.[CH:82](=[CH:83][C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)=[O:93])[c:94]1[cH:95][cH:96][cH:97][cH:98][cH:99]1.[Cl-:55].[Cl:41][c:42]1[c:43](-[n:49]2[n:50][n:51][n:52][c:53]2[CH3:54])[cH:44][cH:45][c:46]([I:48])[cH:47]1.[NH4+:56].[O:57]1[CH2:58][CH2:59][CH2:60][CH2:61]1.[Pd:63].[Zn:62].[c:22]1([P:23]([c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[CH3:10][O:11][C:12]([C:13](=[CH:14][CH:15]1[CH2:16][CH2:17][CH2:18][CH2:19]1)[c:46]1[cH:45][cH:44][c:43](-[n:49]2[n:50][n:51][n:52][c:53]2[CH3:54])[c:42]([Cl:41])[cH:47]1)=[O:21]