HRID153632

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8857

Ethyl acetate

C4H8O2

HCID11773

Triphenylarsine

C18H15As

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID23938

Palladium

2 次

HCID28179

Fluoride

F-

HCID95417

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

C17H14O

3 次

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cc(C)no1

HCID2763255

3-METHYL-5-(TRIBUTYLSTANNYL)ISOXAZOLE

C16H31NOSn

结构：CC(C)(C)OC(=O)N1CC2C=C(OS(=O)(=O)C(F)(F)F)CC2C1

HCID89303915

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C2=CC3CN(C(=O)OC(C)(C)C)CC3C2)on1

HCID21892608

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33f4ac49485a4b71acd7c09e77c8a068
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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