HRID176465

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID23938

Palladium

2 次

HCID31275

1,4-Dioxane

C4H8O2

HCID95417

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

C17H14O

3 次

HCID4574913

未命名化合物

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C33H49P

HCID16665498

未命名化合物

HCID59543863

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1ncc(-c2nc(Nc3cc(F)c(CN4CCOCC4)cc3F)ncc2F)n1C1CCOCC1

HCID49781787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9aaf6b4751c412493ee2f8fd2f42395
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

[CH2:77]1[O:78][CH2:79][CH2:80][O:81][CH2:82]1.[CH3:37][C:38]([CH3:39])([O-:40])[CH3:41].[CH:43]1([P:44]([CH:45]2[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2-[c:57]2[c:58]([CH:59]([CH3:60])[CH3:61])[cH:62][c:63]([CH:64]([CH3:65])[CH3:66])[cH:67][c:68]2[CH:69]([CH3:70])[CH3:71])[CH2:72][CH2:73][CH2:74][CH2:75][CH2:76]1.[Cl:21][c:22]1[cH:23][c:24]([F:36])[c:25]([CH2:26][N:27]2[CH2:28][CH2:29][O:30][CH2:31][CH2:32]2)[cH:33][c:34]1[F:35].[F:1][c:2]1[c:3](-[c:9]2[cH:10][n:11][c:12]([CH3:20])[n:13]2[CH:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[n:4][c:5]([NH2:8])[n:6][cH:7]1.[K+:42].[O:103]=[C:104]([CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1)[CH:113]=[CH:114][c:115]1[cH:116][cH:117][cH:118][cH:119][cH:120]1.[O:121]=[C:122]([CH:123]=[CH:124][c:125]1[cH:126][cH:127][cH:128][cH:129][cH:130]1)[CH:131]=[CH:132][c:133]1[cH:134][cH:135][cH:136][cH:137][cH:138]1.[O:85]=[C:86]([CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1)[CH:95]=[CH:96][c:97]1[cH:98][cH:99][cH:100][cH:101][cH:102]1.[Pd:83].[Pd:84]>>[ClH:21].[F:1][c:2]1[c:3](-[c:9]2[cH:10][n:11][c:12]([CH3:20])[n:13]2[CH:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[n:4][c:5]([NH:8][c:22]2[cH:23][c:24]([F:36])[c:25]([CH2:26][N:27]3[CH2:28][CH2:29][O:30][CH2:31][CH2:32]3)[cH:33][c:34]2[F:35])[n:6][cH:7]1