HRID670525

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7622

Tributylamine

C12H27N

HCID16028

Tetrabutylammonium

C16H36N+

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID2735023

2,2-dimethyl-4-vinyl-1,3-dioxolane

C7H12O2

HCID85928037

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OCC(C=Cc2cc(Cl)nc(SCc3cccc(F)c3F)n2)O1

HCID86619862

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d97524b0c54542feb2ab3a594908345f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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