HRID1220604

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID23938

Palladium

2 次

HCID23994

Zinc

HCID24841

Hydrogen iodide

HCID67993

lpha,alpha,alpha-Trifluoro-4-iodotoluene

C7H4F3I

HCID95417

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

C17H14O

3 次

结构：COc1ccc(P(C2CCCCC2)C2CCCCC2)c(OC)c1-c1ccccc1

HCID66723600

未命名化合物

HCID87293024

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C

HCID67270691

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9624db59d49844d188d3b2a879c8408a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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